Draft Final Program · 245th ACS National Meeting, New Orleans, LA ...

Draft Final Program · 245th ACS National Meeting, New Orleans, LA · Ca... http://abstracts.acs.org/chem/245nm/mmadmin/index.php?content_name=... 

Draft Final Program 

ENFL 

DIVISION OF ENERGY AND FUELS 

T. Gardner and Y. Hu, Program Chairs 

SUNDAY MORNING 

Morial Convention Center 

217 

Solar Energy and Solar Fuels 

Organic and Thin Film Photovoltaics 

Y. Hu, Organizer 

R. Koodali, Organizer, Presiding 

8:25 Introductory Remarks. 

8:30 1. Plastic solar cells with interface engineering. T. J. Marks 

Section A 

9:05 2. Enhanced performance of PBDTTT-C-T/PC70BM solar cells with UV ozone treated inverted structure. Q. Qiao, P. 

Adhikary 

9:35 3. Modulating charge transport kinetics of bulk-heterojunction organic photovoltaics via the qddition of dipolar 

monolayer at the electrode surface. C. K. Song, A. White, L. Zeng, B. J. Leever, M. D. Clark, J. D. Emery, S. J. Lou, L. X. 

Chen, M. J. Bedzyk, T. J. Marks 

9:55 4. Synthesis and optical properties of CuTaN2: Potential solar cell applications. M. Yang, A. Zakutayev, X. Zhang, 

D. Ginley, F. DiSalvo 

10:15 Intermission. 

10:30 5. Morphology-property insights into high-performance organic photovoltaics. W. Chen, T. Xu, F. He, W. Wang, C. 

Wang, J. Strzalka, Y. Liu, J. Wen, D. J. Miller, L. Yu, S. B. Darling 

11:00 6. Entropy considerations on maximum conversion efficiency limit of excitonic solar cells. F. E. Osterloh 

11:20 7. High-throughput thin film approach for screening of temperature-pressure-composition phase space. A. 

Zakutayev, A. Subramaniyan, C. M. Caskey, P. F. Ndione, R. M. Richards, R. O'Hayre, D. S. Ginley 

11:40 8. Nitrogen containing polycyclic aromatic hydrocarbons as acceptors in organic photovoltaics. A. N. Bartynski, J. 

Sommer, M. E. Thompson 


218 

Dye-Sensitized Solar Cells and Organic Solar Cells 

R. Koodali, Organizer 

Y. Hu, Organizer, Presiding 

Section B 

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8:35 9. Cathodic sensitization for p-type dye-sensitized solar cells: Our recent progresses in dyes, semiconductors, and 

device physics. Z. Ji, Z. Huang, M. Yu, M. He, Y. Wu 

9:05 10. First principle approach to study role of ionic additives in the solid-state dye-sensitized solar cells. S. Agrawal, 

T. Leijtens, M. Pastore, H. J. Snaith, F. De Angelis 

9:25 11. Novel tailor-made Zn(II)-porphyrin dyes for highly efficient dye-sensitized solar cells. S. Kang, M. Kang, Y. 

Kim, M. Ju, H. Kim 

9:45 12. Bodipy dyes as a potential sentisizer for dye sensitized solar cells. S. KOLEMEN, O. A. Bozdemir, Y. CAKMAK, Y. 

ALTAY, S. Erten Ela, M. Marszalek, J. Yum, S. M. Zakeeruddin, M. K. Nazeeruddin, G. Barin, J. Brendel, M. Thelakkat, M. 

Gratzel, E. U. AKKAYA 

10:05 13. Self-assembled monoayer assisted interfacial modification of TiO2 and FTO to improve the performance of the 

dye-sensitized solar cell. M. Chen, K. Wu, Y. Mu, Y. Tai 


10:35 14. Nanostructured functional materials for dye-sensitized solar cells. Z. Lin, X. Xin 

11:05 15. Organic vapor phase polymerization of thin film electrodes in flexible solid state dye sensitized solar cells. K. 

H. Skorenko, N. A. Ravvin, R. Tobias, L. Piper, P. Borgesen, W. Bernier, W. E. Jones 

11:25 16. Delafossite CuGaO2 nanoplates for high photovoltage p-type dye-sensitized solar cells. M. Yu, G. Natu, Z. Ji, 

Y. Wu 

11:45 17. Experimental and computational study of concentration quenching in dye sensitized solar cells (DSSC). R. 

Vatassery, W. Gladfelter, J. Siepmann 


219 

CO2 Capture, Sequestration, Conversion and Utilization 

CO2 Capture Using Amine Based Solvents and Ionic Liquids 

Cosponsored by CEI 

Y. Li, F. Li, Organizers, Presiding 


Section C 

8:35 18. Race for developing promising CO2 capture technologies ready for 2020 deployment: Novel mixed-salt based 

solvent technology for post combustion application. I. S. Jayaweera, P. Jayaweera, G. Krishnan, A. Sanjurjo 

9:05 19. Hydrophobic polymeric solvents for the selective absorption of CO2 from warm gas streams that also contain 

H2 and H2O. R. Enick, P. Koronaios, H. Nulwala, D. Luebke 

9:25 20. Degradation and heat stable salt formation during solvent development in a pilot-scale CO2 capture process 

using coal combustion flue gas. J. G. Thompson, R. Frimpong, J. E. Remias, J. K. Neathery, K. Liu 

9:45 21. Exploration of amine chemistries for electrochemically-mediated carbon dioxide scrubbing. M. C. Stern, F. 

Simeon, H. Herzog, A. Hatton 


10:20 22. CO2 solubility and heat of dissolution in aqueous alkanolamine solutions. N. Seyed Matin, J. E. Remias, J. 

Neathery, K. Liu 

10:40 23. CO2 capture using supported amino acid ionic liquids. X. Wang, N. Akhmedov, Y. Duan, D. Luebke, B. Li 

11:00 24. Synthesis of free-standing mesoporous carbon-carbon black nanocomposite membranes as supports of room 

temperature ionic liquids for CO2 separation. S. Chai, P. F. Fulvio, S. M. Mahurin, S. Dai 

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11:20 25. Application of supported ionic liquid hollow fiber membranes (SILHFM) in CO2 capture. L. Hong, S. 

Wickramanayake, C. Myers, D. Plasynski, D. Hopkinson, D. Luebke 


226 

Theory and Simulation in Energy and Fuel Production and Utilization 

Q. Ge, Organizer 

P. Hu, Organizer, Presiding 

A. Gross, J. Liu, Presiding 


8:05 26. Structure-reactivity relations in heterogeneous catalysis. R. A. van Santen 

Section D 

8:45 27. Atomistic theory of Ostwald ripening and disintegration of supported nanoparticles under reaction conditions. 

R. Ouyang, W. Li 

9:15 28. Selective ring-opening strategies over noble metals: A computational chemistry study. Z. Zhao, L. Moskaleva, 

N. Roesch 

9:35 29. Rational design of high-efficiency molecular electrocatalysts for oxidation and production of H2. M. Ho, S. 

Raugei, S. Chen, R. Rousseau, M. Dupuis, R. Bullock 


10:05 30. Modeling materials and catalytic reactions steps for energy applications: Two examples from DFT calculations. 

P. Sautet 

10:45 31. Recent progress in theoretical catalysis: Automated reaction pathway sampling and solid-liquid interface 

electrochemical/photo catalysis. Z. Liu 

11:15 32. Tuning the oxygen reduction activity of Pd-based nanoparticles. L. Zhang, G. Henkelman 

11:35 33. Fischer-Tropsch on V(100): New insights into the methane formation mechanism. Y. Luo, G. Beran 


239 

Chemistry of Petroleum Technologies 

Q. Nguyen, Organizer, Presiding 


Section E 

8:35 34. NaY framework desilication induced mesopore formation in USY zeolite and its application as the active 

component of heavy oil catalytic cracking catalyst. B. Shen, Z. Qin, S. Zhou, Q. Guo, X. Gao, B. Wang, H. Zhao, H. Liu 

9:15 35. Stabilization of iron oxide nanoparticles in high salinity brine at high temperatures with sulfonate copolymer 

for sub-surface applications. H. G. Bagaria, Z. Xue, B. M. Neilson, A. J. Worthen, K. Yoon, S. Nayak, V. Cheng, J. Lee, C. 

W. Bielawski, K. P. Johnston 

9:35 36. Advanced membrane design for improved carbondioxide capture. N. C. Nwogu 


10:10 37. Metabolic and regulatory properties of the diazotrophic cyanobacterial genus Cyanothece. D. Welkie, X. 

Zhang, L. Sherman 

3 of 61 1/27/2013 5:06 PM


10:40 38. Simulating catalyst deactivation in hydrodeslufurization reactors: Comparison of predicted and modeled 

temperatures and coke deposition rates. G. Rajen 

11:00 39. Research octane number (RON) predictions using a simplified structure and entropy linear fitting approach. 

R. L. Fedie 

11:20 40. Predicting solid forming tendency in residue hydrocracking by planning basis solids test. H. Yang, J. Briese, 

Z. Ring, C. Eveland 

11:40 Concluding Remarks. 


238 

Novel Materials for Catalysis and Fuels Processing 

M. Kidder, J. J. Bravo-Suarez, Organizers 

V. Schwartz, Organizer, Presiding 


8:35 41. Multiscale approach to the rational design of zeolite catalysts. A. I. Lupulescu, J. D. Rimer, Y. N. Pandey, M. 

Doxastakis 

9:05 42. Characterizing zeolites in 3D and in-situ. I. Arslan, J. D. Roehling, K. J. Batenburg, B. C. Gates, A. Katz, D. 

Perea, J. Lercher 

9:35 43. Catalytic cracking of tars using hierarchical pore structure zeolites. A. Akkalkotkar, G. M. Bollas, J. Valla 

Section F 

9:55 44. Acidity and catalytic activity of sulfated ZrSBA-15. K. K. Soni, S. Garg, G. Kumaran, J. Gupta, T. Bhaskar, G. 

Dhar 


10:30 45. Alkali promoted iron oxide oxygen carriers for chemical looping combustion of coal and methane for efficient 

energy production with controlled CO2 emissions. J. Fisher II, R. Siriwardane 

10:50 46. FTIR studies of Rh substituted lanthanum zirconate (La2Zr2O7) pyrochlores for CO2 reforming of CH4. D. S. 

Pakhare, V. Schwartz, V. Abdelsayed, D. Haynes, D. Shekhawat, J. Spivey 

11:10 47. Catalytic combustion of methane over Sn0.9Ce0.1O2 catalyst. L. Cheng, X. g. Li 


232 

Catalysts for Energy Conversion and Storage 

Metallic Nanostructured Catalysts 

S. Qiao, Y. Yin, Organizers 

F. Tao, Organizer, Presiding 

H. Yang, Presiding 


8:05 48. Toward sustainable use of platinum as an industrial catalyst. Y. Xia 

8:45 49. Plasmonic harvesting of solar energy for chemical reactions. J. Wang 

Section G 

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9:15 50. Shaping the bimetallic nanostructures as catalysts for energy conversion. H. Yang 

9:45 51. On the genesis of Pt-Cu nanoparticles: Towards the controlled synthesis of electrocatalysts. J. Boita, M. 

Castegnaro, M. C. Alves, J. Morais 


10:15 52. In situ electron spectroscopies reveal catalyst structure and reaction steps in Fischer-Tropsch synthesis and 

CO oxidation. M. B. Salmeron 

10:55 53. In situ measurements of the redox activity of Ce based anode materials for solid oxide fuel cell applications. 

R. Sharma, J. Winterstein, V. Sharma, P. A. Croazier 

11:25 54. Catalysis and operando studies of RhCon nanoclusters supported on cobalt oxide nanorods. F. Tao, A. Frenkel 

11:45 55. Iodide-mediated control of rhodium epitaxial growth on well-defined noble metal nanocrystals: Synthesis, 

characterization, and structure-dependent catalytic properties. C. Tsung 


220 

Metal-Organic Frameworks (MOFs) for Energy and Fuels 

MOF Synthesis, Structure, and Modification 


R. Forgan, Presiding 


8:05 56. Hierarchical PCP/MOF. S. Kitagawa 

8:45 57. Core-shell and yolk-shell nanocrystal@MOF nanostructures for gas phase heterogeneous catalysis with 

selectivity control. C. Tsung 

9:05 58. Understanding adsorption in porous materials through structure and spectroscopy. C. M. Brown, M. R. 

Hudson, W. L. Queen 

Section H 

9:35 59. Metal-organic frameworks from abundant natural sources. R. S. Forgan, R. A. Smaldone, J. J. Gassensmith, J. 

F. Stoddart 


10:20 60. Removal of xenon and krypton from air using metal organic frameworks. P. Thallapally, J. Liu, D. Strachan 

10:50 61. Porous metal-organic frameworks (MOFs): New platforms for functional applications. Q. Xu 

11:20 62. Stability and hydrolyzation of metal organic frameworks with paddle-wheel SBUs upon hydration. K. Tan, N. 

Nijem, P. Canepa, Q. Gong, J. Li, T. Thonhauser, Y. Chabal 

11:40 63. Anhydrous proton conductive coordination frameworks and application for solid electrolyte. S. Horike, D. 

Umeyama, M. Inukai, S. Kitagawa 


231 

10th International Symposium on Heavy Oil Upgrading, Production and Characterization 

Fouling and Asphaltenes 

Section I 

5 of 61 1/27/2013 5:06 PM


P. Rahimi, B. Shen, C. Mesters, Organizers 

J. Schabron, Organizer, Presiding 


8:05 64. Corrosion-fouling of 316 stainless steel and pure iron by hot oil. D. Mitlin, T. Stephenson, M. Derakhshesh, A. 

Kubis, P. Eaton, B. Newman, A. Hoff, M. Gray 

8:50 65. Oil sands bitumen processability. P. M. Rahimi 

9:20 66. Spectroscopic characterization of the supramolecular aggregation interactions of petroleum asphaltenes in 

solution: A multiscale modeling investigation. S. R. Stoyanov, L. M. da Costa, S. Gusarov, M. R. Gray, J. M. Stryker, R. 

R. Tykwinski, X. Tan, J. M. Carneiro, P. R. Seidl, A. Kovalenko 

9:50 67. Colloid-chemical approach to oil bulk properties during oil production. R. Z. Safieva, A. N. Drozdov 


10:25 68. Circular solvent chamber model for simulating the VAPEX heavy oil recovery process. L. Lin, Y. Gu 

10:55 69. Fractionation of asphaltene constituents from petroleum residues. P. R. Seidl, L. C. Quintero, F. B. Silva, L. P. 

Branco, M. J. Guimaraes, L. Tasic, C. Silveira, K. Z. Leal, S. C. Menezes 

11:25 70. Fractionation and characterization of pyrene pitch oligomers. D. F. Esguerra, W. P. Hoffman, M. C. Thies 

11:45 71. Analysis of complex mixtures of heteroatom hydrocarbons using TIMS-MS. F. Fernandez-Lima 


235 

Nanomaterials and Nanotechnologies for Energy and Fuels 

General 

S. Yang, Organizer 

P. Christopher, Organizer, Presiding 


8:35 72. Ultrathin graphene coating for passivating microbial corrosion in microbial fuel cells. V. Gadhamshetty, A. 

Krishnamurthy, N. Koratkar 

8:55 73. Triboelectric nanogenerators: Harvesting mechanical energy using polymer films. Z. Wang 

Section J 

9:25 74. Palladium based nanostructures as high-performance hydrogen gas sensors. X. Zeng, Y. Wang, M. Latimer, J. 

Pearson, Y. Ito, T. Xu, Z. Xiao 


10:00 75. Uniform multifunctional porous core-shell structures from a simple Stöber method. W. Li, D. Zhao 

10:30 76. Epitaxially grown layered MFI-bulk MFI hybrid zeolitic materials. W. Kim, X. Zhang, J. Lee, M. Tsapatsis, S. 

Nair 

10:50 77. Intracellularly and controllably biosynthesizing nanomaterials by "Space-Time Coupling" of intracellular 

irrelated biochemical reaction pathways. R. Cui, H. Liu, H. Xie, Y. Gu, Z. Zhang, Z. Xie, B. Hu, Z. Tian, D. Pang 

George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Alexis T. Bell 

Sponsored by CATL, Cosponsored by ENFL 

6 of 61 1/27/2013 5:06 PM


The Hydrogen Economy is Fueled by Small Businesses 

Sponsored by SCHB, Cosponsored by CEI, ENFL, and PROF 

SUNDAY AFTERNOON 


217 


Hybrid and Thin Films for Solar Energy Conversion 




1:05 78. Hybrid cells for simultaneous harvesting multiple types of energy. Z. Wang 

1:40 79. Graphene and thin graphitic electrode based solar cells with high conversion efficiency. X. An, F. Liu, S. Kar 

Section A 

2:10 80. Indium, tin, and gallium doped CdSe quantum dots for use in hybrid photovoltaic devices. C. J. Tuinenga, H. 

Luo, R. Scott, A. Kirkeminde, M. Gong, J. Totleben, S. Ren, V. Chikan 

2:30 81. Solution processed wide band-gap CuInGaS2 thin film for solar cell applications. S. Park, B. Min 


3:05 82. 3D transparent conducting electrodes for advanced solar cell application. R. P. Chang, B. Lee, N. Zhou, M. Li, 

Y. Hua, T. Odom, T. Marks 

3:35 83. Progress in the large scale synthesis of semiconducting materials and their application in printed solar cells. A. 

B. Holmes, H. Seylet, W. W. Wong, D. J. Jones, S. Ji, B. Purushothaman 

4:05 84. Nanoscale organic/inorganic hybrid assemblies for solar energy conversion. C. Janaky, N. de Tacconi, W. 

Chanmanee, K. Rajeshwar 

4:25 85. Electrical scanning probe microscopy of thin films for CIGS-based solar cells. J. T. Abrahamson, B. Tosun, F. 

Johnson, G. Haugstad, S. A. Campbell, E. S. Aydil 

4:45 86. Synthesis of compositionally graded ZnxCd1-xS films using chemical bath deposition. B. Tosun, J. 

Abrahamson, A. Gunawan, C. Pettit, C. Cheng, K. Mkhoyan, S. Campbell, E. Aydil 


218 

Dye-Sensitized Solar Cells and Organic Solar Cells 




1:05 87. CdS/CdSe quantum dot co-sensitized solar cells. J. Tian, Q. Zhang, G. Cao 

Section B 

1:35 88. High efficient dye-sensitized solar cells based on controllable nanostructures. N. Yang, Z. Dong, L. Yi, D. Wang 

2:05 89. Ruthenium(II) dipyrrinates in the dye-sensitized solar cell. G. Li, K. Hu, P. Bomben, S. I. Gorelsky, G. J. Meyer, 

7 of 61 1/27/2013 5:06 PM


C. P. Berlinguette, M. Shatruk 

2:25 90. Cyclometalated ruthenium sensitizers for p-type NiO dye-sensitized solar cells. Z. Ji, G. Natu, Z. Huang, O. 

Kokhan, X. Zhang, Y. Wu 

2:45 91. Engineered CuInSexS2-x quantum dots for high efficiency sensitized solar cells. H. McDaniel, N. Fuke, J. M. 

Pietryga, V. I. Klimov 


3:15 92. Developing nanomaterials enabled dye-sensitized solar cells. P. Dong, J. Zhang, S. Najmaei, F. Hao, R. H. 

Hauge, H. Lin, J. Lou 

3:45 93. Marked improvement in the stability of a small molecular organic photovoltaic by interfacial modification. M. 

Chen, Y. Chiou, J. Chiu, A. Tedla, Y. Tai 

4:05 94. Effect of controllable thin film crystal growth on the aggregation of a novel squaraine viable for organic solar 

cells. S. D. Spencer, P. Heaphy, V. M. Murcia, C. P. Gallivan, J. D. Andersen, C. Bougher, B. R. Conrad, J. A. Cody, C. J. 

Collison 

4:25 95. Impedance investigation of NiO p-type dye-sensitized solar cells. Z. Huang, G. Natu, Z. Ji, M. He, Y. Wu 

4:45 96. Self-assembling chromophores for dye aggregate solar cells. T. Balaban 


219 


CO2 Capture Using Solid Sorbents and Oxygen Carriers 



1:15 97. National Carbon Capture Center status. F. C. Morton 

1:55 98. Chemical looping combustion and chemical looping with oxygen uncoupling for solid fuels. J. S. Lighty, K. 

Whitty, A. Sahir, C. Clayton 

Section C 

2:35 99. Model-assisted comparison of chemical-looping combustion in fixed and fluidized bed reducers. Z. Zhou, G. M. 

Bollas 


3:25 100. Chemical looping combustion based on copper oxygen carriers. y. cao, S. P. Sit, W. Pan 

4:05 101. Investigation of sorbents for warm CO2 capture by pressure swing adsorption. Z. Liu, W. H. Green 

4:25 102. Study of CO2 capture using amine grafted SBA-15 sorbent. N. Mittal, A. Samanta, P. Sarkar, R. Gupta 


226 


P. Hu, Organizer 

Q. Ge, Organizer, Presiding 

Section D 

8 of 61 1/27/2013 5:06 PM



1:05 103. Understanding the high concentration of surface vacancies at metal oxides: The example of MgO (100). N. A. 

Richter, S. Sicolo, S. V. Levchenko, J. Sauer, M. Scheffler 

1:45 104. Tuning the catalytic properties of metal oxide catalysts: A theoretical study. P. Liu 

2:15 105. DFT+U modeling of rare earth CeO2 for catalysis and energy production. X. Gong, J. Zhang, F. Chen, P. Hu, 

G. Lu 

2:45 106. Aldol condensation of acetaldehyde over H-ZSM-5 zeolite: An advanced DFT approach. B. Boekfa, J. 

Limtrakul 


3:15 107. Reactions on flat and stepped rutile TiO2 modeled with DFT. B. Hammer 

3:55 108. Proton coupled electron transfer in water photo-oxidation at rutile TiO2(110) water interface. J. Cheng, M. 

Sprik 

4:25 109. Tuning the catalytic property of TiO2 nanotube arrays for water splitting. X. Pan, Q. Cai, J. Wang 


239 

Chemistry of Petroleum Technologies 

Q. Nguyen, Organizer, Presiding 


1:35 110. Use of sodium metaborate in chemical flooding. J. Zhang, Q. P. Nguyen 

Section E 

2:15 111. Conformation of offshore petroleum deposit regions and marine bioproduction regions: Sharing of energy and 

food. S. Mori 

2:35 112. Leakage of phase change material paraffin in polyethylene/paraffin binary composites for buildings energy 

storage. F. Chen, M. Wolcott 


3:10 113. Development of downsizing adsorption chiller used in the vehicle. Z. He, H. Huang, H. Yuan, N. Kobayashi, L. 

Deng, Y. Chen, T. Zeng 

3:30 114. Understanding improved electrochemical properties in nickel fluoride conversion electrode materials by X-ray 

absorption spectroscopy and pair distribution function. D. Lee, K. Carroll, S. Calvin, K. Chapman, P. Chupas, Y. S. Meng 

3:50 115. Stability and lifetime of K-CoMoSx mixed alcohol catalysts. J. E. Hensley, D. Ruddy, J. Schaidle, J. Ferrell, J. 

Thibodeaux 

4:10 116. Pretreatment chemistry: What to expect and need. A. Ragauskas 



238 

Novel Materials for Catalysis and Fuels Processing 

J. J. Bravo-Suarez, V. Schwartz, Organizers 

Section F 

9 of 61 1/27/2013 5:06 PM


M. Kidder, Organizer, Presiding 


1:35 117. Catalytic performance of molybdenum carbides in aqueous-phase hydrotreating of acetic acid. J. Choi, V. 

Schwartz, E. Santillan-Jimenez, M. Crocker, S. A. Lewis, H. M. Meyer, K. L. More 

2:05 118. SiO2 supported ionic liquids with Pd for selective hydrogenation of acetylene in ethylene. T. Zhou, K. Jang, B. 

W. Jang 

2:25 119. Sulfonic acid-functionalized magnetic nanoparticles as efficient and reusable catalysts for esterification of free 

fatty acid in grease in two-step biodiesel production. Z. Zillillah, G. Tan, Z. Li 

2:45 120. Hydrodenitrogenation by Pd/Ta-Al2O3 catalysts. M. Bachrach, N. Morlanes-Sanchez, T. J. Marks, J. M. 

Notestein 


3:20 121. Conversion of glycerol using Ni/ γAl2O3 and ZSM 5 zeolite catalysts. P. C. MORALES, G. CAMARGO, J. C. 

MORENO 

3:40 122. Promotion effects of nonthermal ar plasma on silica supported pd catalysts with ionic liquids for selective 

hydrogenation of acetylene. K. Jang, T. Zhou, B. W. Jang 



232 


Solar Energy Conversion 

Y. Yin, F. Tao, Organizers 

S. Qiao, Organizer, Presiding 

J. Wang, P. Feng, Presiding 


Section G 

1:35 123. Metal@Titania yolk@shell photocatalysts for hydrogen production from water. J. Joo, R. Dillon, C. Bardeen, Y. 

Yin, F. Zaera 

2:15 124. Determination of a structure-photoactivity relationship for water splitting on well-defined TiOx nanodomains. 

I. Wachs, C. Roberts, S. Phivilay, A. Puretzky, K. Domen 

2:45 125. On the origin of structural-change and doping effects on the photocatalytic activity of BiVO4 toward water 

splitting: A first principles study. K. E. Kweon, G. S. Hwang 


3:20 126. Nanostructured catalytic materials for solar energy conversion. P. Feng, Y. Hou, F. Zuo 

3:50 127. Promotion of TiO2 photocatalysts for higher hydrogen evolution activities. Y. Li, J. Meng, Z. Yu, L. Yongdan 

4:20 128. Co-Fe layered double hydroxide for oxygen evolving photocatalyst under visible light. S. Kim, Y. Lee, J. Kang 

4:40 129. Mechanistic aspects of donor-acceptor process in the artificial light-driven catalysis . T. Privalov 


220 

Section H 

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CO2 Capture and Storage 


R. Forgan, Presiding 


1:05 130. Computational carbon capture. B. Smit 

1:35 131. High-throughput computational screening of metal-organic frameworks for CO2 capture and other 

applications. R. Q. Snurr 

2:05 132. Flexible metal-organic framework materials designed for enhanced CO2 adsorption. W. Bloch, C. J. Sumby, R. 

Barbaro, M. R. Hill, C. J. Doonan 

2:35 133. Regeneration energy requirements of porous materials in carbon capture. J. P. Sculley, W. M. Verdegaal, K. 

Wang, H. Zhou 


3:10 134. Phosphonate esters as linkers for MOFs: Applications to CO2 capture. G. K. Shimizu, J. M. Taylor, S. S. 

Iremonger 

3:40 135. Carbon capture and methane storage in porous metal-organic frameworks: A comparative study and 

independent validation of current records and future directions. T. Yildirim 

4:10 136. Evaluating metal-organic frameworks for post-combustion carbon dioxide capture via high-throughput 

adsorption measurements. J. A. Mason, T. Bae, J. J. Dutton, K. Sumida, S. S. Kaye, J. R. Long 

4:30 137. Flexible metal organic framework compound, Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]n, for CO2 sorption 

applications. W. Wong-Ng, J. Culp, Y. Chen, L. Espinal, A. J. Allen, D. Siderius, C. M. Brown, W. L. Queen, P. Zavalij, C. 

Matranga 

4:50 138. Solar conversion of CO2 into methanol by metal-organic framework (MOF) photocatalyst. Y. Lee, J. Kang 


231 


Asphalt and Bitumen 

B. Shen, C. Mesters, J. Schabron, Organizers 

P. Rahim i, Organizer, Presiding 


1:35 139. Application of 2D correlation spectroscopy to evaluation of oxidized polymer-modified asphalts. I. YUT 

Section I 

2:05 140. Asphaltene subfraction contributions to emulsion stability. J. F. Schabron, M. M. Sanderson, J. F. Rovani, J. J. 

Adams 

2:35 141. Wettability and carbon content changes of fine mineral particles during reaction under subcritical water 

conditions. J. Zhao, P. Wang, Q. Liu, M. R. Gray 

3:05 142. Improvement of the water resistance in asphalt concrete by hydrated lime treatment. L. BOULANGE, Z. GU, 

M. MEASSON 

11 of 61 1/27/2013 5:06 PM



3:45 143. Calorimetric probing of interactions of asphaltenes with saturates, aromatics, and resins in petroleum residue. 

K. Chen, Z. Xue, H. Liu, A. Guo, Z. Wang 

4:15 144. Impact of solvents on thermal conversion of oil sands derived bitumen. A. Zachariah, A. de Klerk 

4:45 145. Solvent moderation of hardening during oxidative desulfurization of bitumen. J. L. García Zapata, A. de 

Klerk 

5:15 146. Natural zeolite catalysts for hydrothermal liquefaction of microalgae to bio-oil. J. Bian 


235 


Photovoltaics 

P. Christopher, Organizer 

S. Yang, Organizer, Presiding 


Section J 

1:05 147. Exciton and charge dynamics in a thin film CIS/CdS nanocrystal/inorganic hybrid solar cell. J. E. Halpert, F. 

Morgenstern, Y. Vaynzof, N. C. Greenham 

1:25 148. Solar energy conversion using earth-abundant semiconductor nanomaterials. S. Jin 

1:55 149. IR electrochromics from block copolymer-architectured doped metal oxide nanocrystals. B. A. Helms, C. M. 

Chang, T. E. Pick, G. Garcia, E. Runnerstrom, B. Williams, R. Buonsanti, D. J. Milliron 

2:15 150. Micro/nanoscale materials and assembly methods for ultrahigh efficiency photovoltaics. J. Rogers 


3:00 151. Nanostructured solar cells with efficient photon management and nanowire network transparent electrodes. 

Y. Cui 

3:30 152. Nucleation growth of pyrite nanocrystal arrays by chemical vapor deposition (CVD) on highly oriented 

pyrolytic graphite (HOPG). Y. C. Kwon, N. C. Berry, M. C. Law, J. C. Hemminger 

3:50 153. Progress in colloidal quantum dot photovoltaic performance. O. Voznyy, E. H. Sargent 

4:20 154. On the scalability of dye-sensitized solar cells: Effects of photoelectrode area on the photovoltaic and charge 

transport parameters. R. Jose, A. Fakharuddin, P. S. Archana, M. M. Yusoff 

4:40 155. Cyanine nanoGUMBOS as sensitizers for applications in dye-sensitized solar cells. A. Jordan, S. Das, N. Siraj, 

I. Warner 


240/241 

Section K 

Advances in X-to-Liquids Technologies (X=Biomass, Coal and Natural Gas): Chemistry, Reactor and Process 

Design 

N. Elbashir, Organizer 

T. Gardner, Organizer, Presiding 

R. Hussain, Presiding 

12 of 61 1/27/2013 5:06 PM



1:35 156. Synthesis of Co3O4 nanorods as catalysts for Fischer-Tropsch synthesis. C. Wen, J. Lauterbach, J. Hattrick- 

Simpers 

2:05 157. Effect of carbon number on properties of synthetic gas-to-liquid jet fuel blends. E. Elmalik, R. Hussain, I. 

Al-Nuaimi, S. Warrag, N. O. Elbashir 

2:25 158. Steady-state attainment period for Fischer–Tropsch products. C. M. Masuku, D. Hildebrandt, D. Glasser, B. H. 

Davis 

2:45 159. Novel warm gas multicontaminant removal sorbents. G. Alptekin, A. Jayaraman, M. Dubovik, M. Cesario 

3:05 160. NMR studies on solids to liquid pyrolysis bio-oils. J. Kshetrimayum, W. Hockaday, S. J. Kim 


3:40 161. Prospects for small-scale gas-to-liquids processes. C. M. Masuku, B. Patel 

4:00 162. Simulation of coal and biomass to liquids process with parallel power generation based on combined cycle 

and in-series fuel cell + combined cycle system. J. Valla, S. Du, G. M. Bollas 

4:20 163. Comparison of radial heat transfer in lab and bench scale tubular Fischer-Tropsch synthesis reactors. X. Zhu, 

x. Lu, X. Liu, D. Hildebrandt, D. Glasser 

4:40 164. Advanced setup for real-time monitoring of trace gas concentrations in syngas. J. Herbig, R. Gutmann, K. 

Winkler, A. Hansel, G. Sprachmann 

5:00 165. Thermolysis of ether bonds relevant to coal. W. Wei, M. Rahman, R. Gupta, A. de Klerk 




MONDAY MORNING 


217 


Solar Fuel Production 




Section A 

8:05 166. Technical and operational perspective on the DOE Energy Innovation Hub and fuels from sunlight, the Joint 

Center for Artificial Photosynthesis. N. S. Lewis 

8:40 167. Limiting efficiencies for solar thermal energy conversion to fuels. D. S. Mallapragada, R. Agrawal 

9:10 168. High throughput and CBD synthesis of doped tin sulfide (SnS) photoelectrocatalysts. J. Baltrusaitis, W. 

Cheng, M. Seal, N. Singh, E. McFarland 


9:45 169. Understanding iron-oxide as a photo-catalyst for the oxidation half of the water splitting reaction. J. Hupp 

10:20 170. STEP: Fundamentals of an alternative solar energy conversion process, the solar thermal electrochemical 

13 of 61 1/27/2013 5:06 PM


process. S. Licht, J. Lau, J. Stuart, B. Cui, B. Wang 

10:40 171. Solar thermochemical CO2 splitting utilizing a reticulated porous ceria redox system. P. Furler, J. Scheffe, 

M. Gorbar, L. Moes, U. Vogt, A. Steinfeld 

11:00 172. Synthesis and characterization of doped ceria for thermochemical H2O- and CO2 _ splitting using 

concentrated solar energy. A. Ambrosini, E. N. Coker, A. McDaniel, D. Arfin, M. D. Allendorf, J. E. Miller 


218 

X-Ray and Neutron Scattering 

Catalysis 

K. Herwig, Organizer 

R. E. Winans, Organizer, Presiding 


Section B 

8:05 173. Stabilization of Pt nanocatalyst by ZnO overcoat: In situ small-angle X-ray scattering/X-ray absorption study. 

S. Lee, Y. Lei, C. L. Marshall, J. W. Elam, R. E. Winans 

8:35 174. Formation and growth of bimetallic alloy nanoparticles probed by in situ high temperature X-ray diffraction. F. 

Hasché, M. Oezaslan, P. Strasser 

9:05 175. X-ray absorption spectroscopy characterization of PtCo aqueous phase reforming catalysts. P. J. Dietrich, F. 

G. Sollberger, F. H. Ribeiro, J. T. Miller 


9:50 176. Systematic tuning of Au dendrimer-encapsulated nanoparticle disorder. R. M. Crooks, D. F. Yancey, S. T. 

Chill, L. Zhang, R. M. Anderson, A. I. Frenkel, G. Henkelman 

10:20 177. Gold doped cobalt oxide nanocatalysts: An in-situ- investigation using synchrotron radiation. E. C. Tyo, C. 

Yin, M. Di Vece, Q. Qian, R. Si, M. Flytzani-Stephanopoulos, S. Lee, B. Lee, S. Seifert, R. E. Winans, Z. Wang, R. E. 

Palmer, M. Neurock, S. Vajda 

10:50 178. X-ray absorption spectroscopy of supported palladium catalysts during hydrodeoxygenation of phenol in 

water. D. M. Camaioni 

11:20 179. In-situ pair distribution function studies of reactivity in catalytic materials. P. J. Chupas, K. Chapman 


219 


CO2 Capture and Utilization - Perspectives and Fundamentals 



8:05 180. Carbon candor. J. A. Trainham 

8:45 181. Development of economically-viable adsorption-based processes for direct capture of CO2 from air. D. S. 

Sholl, A. Kulkarni, S. Didas, C. W. Jones 

Section C 

14 of 61 1/27/2013 5:06 PM


9:25 182. Mixed-conductor supported iron oxide for carbonaceous fuel oxidation and CO2 capture. N. Galinsky, Y. 

Huang, A. Shafiefarhood, F. Li 


10:20 183. Theoretical screening of solid sorbents for CO2 capture. Y. Duan, D. C. Sorescu, D. Luebke, B. Morreale, B. 

Li, B. Zhang, K. Johnson, K. Zhang, X. S. Li, D. King 

10:50 184. Mechanistic understanding of catalytic CO2 activation from first principles theory. Q. Ge 

11:15 185. CO2 conversion into organic carbonates using a metallosalen catalyst: New insights from DFT analysis. A. 

W. Kleij, G. Salassa, F. Castro-Gómez, C. Bo 

11:35 186. DFT studies of elementary kinetics of CO2 reduction on Cu electrodes. X. Nie, W. Luo, A. Asthagiri, M. J. 

Janik 


226 





8:05 187. Semihydrogenated BN sheet: A promising visible-light driven photocatalyst for water splitting. J. Yang 

8:45 188. Ab initio simulations of wet and dry interfaces. A. Michaelides 

Section D 

9:15 189. Electronic and optical properties of metal-organic frameworks with azobenzene derivatives introduced to the 

organic linker. A. J. Neukirch, O. V. Prezhdo, J. P. Lewis 

9:35 190. Towards an atomistic picture of the active interface in dye sensitized solar cells. J. VandeVondele 


10:15 191. Materials-related aspects of photocatalysis: Insights from quantum simulations. A. Selloni 

10:55 192. Modelling hydrogen reduction and hydrodeoxygenation of oxygenates. Y. Zhao, Q. Xu, S. Cheah 

11:25 193. How well can we do computational heterogeneous catalysis? A caveat. X. Xu 


239 

E. V. Murphree Award in Industrial and Engineering Chemistry: Symposium in Honor of Esther S. Takeuchi 

Cosponsored by COLL and I&EC 

A. Marschilok, Organizer, Presiding 


Section E 

7:55 194. Nanocomposites of Mg2Si for high performance thermoelectric applications. S. M. Kauzlarich, T. Yi, O. Janka, 

J. V. Zaikina 

8:25 195. Zeolite synthesis and catalysis in petrochemicals. J. C. Bricker, E. P. Boldingh, M. G. Gatter, R. W. Broach, D. 

S. Lafyatis, G. J. Lewis, J. G. Moscoso 

8:55 196. Approaches to achieving more efficient photovoltaic devices. E. Reichmanis 

15 of 61 1/27/2013 5:06 PM


9:25 197. Designing dual intercalation batteries based on sodium. M. M. Doeff, M. Shirpour, J. Cabana 

9:55 198. Exploring battery chemistry using thin film materials. N. J. Dudney 

10:25 199. High-energy, high-power lithium-sulfur batteries. A. Manthiram 

10:55 200. Perfluoropolyether-based materials: A new generation of polyelectrolytes for battery applications. A. Vitale, 

D. H. Wong, A. Pandya, J. M. DeSimone 

11:25 201. Nanoscale organic hybrid materials (NOHMs): Applications as electrolytes and separators for high energy 

secondary batteries. Y. Lu, J. Schaefer, Z. Tu, S. Srivastava, L. Archer 


238 

Carbon-Based Materials for Energy Conversion and Storage 

S. K. Nune, Organizer 

S. Dai, D. Jiang, Organizers, Presiding 


8:25 202. Fabrication and properties of carbon electrode arrays. N. Cirigliano, G. Sun, C. Kim, B. Dunn 

Section F 

9:05 203. Chemical modification of carbon by the diazonium chemistry for energy storage applications. A. Le Comte, M. 

Weissmann, G. Pognon, T. Brousse, D. Bélanger 

9:35 204. Synegistic effects of carbon nanostructures in energy storage. J. Liu, Y. Cheng, Y. Cai, H. Zhang, G. Lee 


10:20 205. Carbonized chicken eggshell membrane with a hierarchical 3D architecture as a high energy supercapacitor 

electrode. D. Mitlin, Z. Li, X. Tan, Z. Xu, H. Wang, C. Holt, B. Olsen 

10:50 206. Structure controlled carbon-based materials for electrochemical energy storage. A. Lu 

11:20 207. Nanostructured electrode materials for efficient supercapacitors. H. N. Alshareef 

11:50 208. Bulk and surface modification of highly porous carbon for supercapacitors tested at increased working 

voltages. S. Candelaria, G. Cao 


232 


Hybrid Catalysts 

S. Qiao, Y. Yin, Organizers 

F. Tao, Organizer, Presiding 

S. Vajda, Presiding 


8:05 209. Strongly coupled inorganic/nanocarbon hybrid materials for advanced electrocatalysis. H. Dai 

8:45 210. Nanocomposite materials for energy applications. J. Y. Ying 

9:15 211. Metallic nanoparticles assembled on graphene as enhanced catalyst for oxygen reduction reaction. S. Sun 

Section G 

16 of 61 1/27/2013 5:06 PM


9:45 212. Promoter effects on green gasoline production from bio-oil upgrading over Pt-based catalysts. Z. He, X. 

Wang 


10:15 213. Nanoconfined complex hydrides for chemical hydrogen storage. X. Yao 

10:45 214. Design and integration of nanostructured catalysts. H. Zeng 

11:15 215. On the improvement of catalytic performance of metal and metal oxides by mesostructure. Y. Wan 

11:45 216. New method of synthesizing intermetallic nanoparticle catalysts for hydrocarbon conversions. W. Huang, R. 

V. Maligal-Ganesh, C. Xiao, Z. Guo, X. Li 


220 


MOFs for Fuel Storage 


X. Wang, Presiding 


8:05 217. MOFs for fuel storage and release. J. Hupp 

8:35 218. Metal-organic frameworks for clean-energy-related applications. H. Zhou 

9:05 219. Reticular materials for hydrogen storage: Toward the DOE threshold. S. Leoni, I. Baburin, G. Seifert 

9:25 220. New method of introducing platinum nanoclusters into metal organic framework and their catalytic 

properties. W. Huang, Z. Guo, C. Xiao, X. Li, R. V. Maligal-Ganesh 


Section H 

10:00 221. Utilizing metal-organic frameworks for gas storage. O. K. Farha, C. Wilmer, T. Yildirim, R. Q. Snurr, J. Hupp 

10:30 222. Metal organic framework based mixed matrix membranes for natural gas upgrading. T. Rodenas, M. van 

Dalen, E. Garcia-Perez, P. Serra-Crespo, F. Kapteijn, J. Gascon 

10:50 223. In situ spectroscopy studies of gas adsorption in metal organic frameworks. J. V. Lockard, Y. Chen, J. 

Luginsland 

11:10 224. Metal-organic frameworks for hydrogen storage and separation. G. Zhu, F. Sun, H. Ren 

11:30 225. Preferential gas adsorption in Cu-BTC: A combined molecular modeling and crystallographic determination. 

D. F. Sava, K. W. Chapman, M. A. Rodriguez, J. A. Greathouse, P. S. Crozier, H. Zhao, P. J. Chupas, T. M. Nenoff 


231 


Upgrading and Processing 

B. Shen, J. Schabron, P. Rahimi, Organizers 

C. Mesters, Organizer, Presiding 

Section I 

17 of 61 1/27/2013 5:06 PM



8:05 226. Desulfurization of hexyl sulfide in the presence of supercritical water. Y. Kida, C. Class, P. Patwardhan, A. J. 

Adamczyk, A. K. Vasiliou, M. T. Timko, K. Choi, J. W. Tester 

8:35 227. Atomic-scale insight into deep desulfurization pathways on MoS2 and Co–Mo–S hydrotreating catalysts. J. V. 

Lauritsen 

9:05 228. Studies on catalytic cracking performances of saturates and aromatics separated from vacuum gas oil - I: 

Separation and characterization. H. Song, Y. Zhu, Z. Da, Z. Liu, Z. Huang, X. Zhu, Y. Liu, S. Tian 

9:35 229. Interactions between naphthenic ring compounds and other hydrocarbons during catalytic cracking process. 

Y. Chen, Y. Zhu, Z. Da, H. Song 


10:15 230. Study on the zeolite beta based octane promoter and its application in heavy oil catalytic cracking. X. Pang, 

Z. Li, Q. Liu, Z. Zhou, Q. Wang, J. Piao, F. Li, L. Yan 

10:45 231. Carbon nanoparticles templated synthesis of hierarchical SAPO-11 for enhanced hydroisomerization of 

n-dodecane. Z. Liu, H. Song, Z. Yan 

11:15 232. Catalytic cracking of n-hexane on zeolites with different topologic structure. W. Li, X. Cao, Y. Zhang, Y. Gong, 

T. Dou 

11:45 233. Studies on catalytic cracking performances of saturates and aromatics separated from vacuum gas oil - II: 

Cracking product distribution. H. Song, Y. Zhu, Z. Da, Y. Chen, Q. Wu 

12:05 234. Study on STRONG ebullated-bed hydrotreating. Y. Tao, X. Fang, J. Liu 


235 


Photocatalysis 

S. Yang, Organizer 

P. Christopher, Organizer, Presiding 


8:05 235. Hydrogen evolution via sunlight water splitting on butterfly wing architecture TiO2. X. Guo 

Section J 

8:25 236. Bacteria-directed construction of hollow TiO2 micro/nano structures with enhanced photocatalytic hydrogen 

evolution activity. T. Fan, H. Zhou, D. Zhang 

8:55 237. Photosynthesis with surface plasmons. M. Moskovits, S. Mubeen, J. Lee 

9:25 238. Direct photo-catalysis on optically excited plasmonic metal nanostructures. A. Marimuthu, H. Xin, P. 

Christopher, S. Linic 


10:10 239. On the substantially improved photoelectrochemical properties of nanoporous WO3 through surface 

decoration with RuO2. C. Janaky, W. Chanmanee, K. Rajeshwar 

10:30 240. Architecture for a low-overpotential, gas-separated photoelectrolysis system. N. S. Lewis 

11:00 241. Improving hematite-based photoelectrochemical water splitting by forming homo- and hetero-junctions. M. 

T. Mayer, C. Du, Y. Lin, D. Wang 

11:30 242. Artificial nanotrees for solar-driven water-splitting. C. Liu, J. Tang, B. Liu, H. Chen, P. Yang 

18 of 61 1/27/2013 5:06 PM



240/241 

Section K 

Energy and Fuels Distinguished Researcher Award in Petroleum Chemistry: Symposium in Honor of Burtron H. 

Davis 

G. Jacobs, U. Graham, Organizers, Presiding 


8:35 243. MgO-supported osmium complexes and clusters: Characterization by spectroscopy and microscopy with 

single-atom sensitivity. C. Aydin, A. Kulkarni, M. Chi, N. D. Browning, B. C. Gates 

9:05 244. Designing MFI based catalysts with improved catalyst life for C3 = -C5 = oligomerization to high quality liquid 

fuels. C. Martinez, E. Doskocil, A. Corma 

9:35 245. Utilization of synthesis gas for the production of fuels and chemical. A. T. Bell 


10:20 246. C5+ selectivity on modified alumina supported Co-based Fischer-Tropsch catalysts. A. Holmen, B. C. Enger, 

S. Ranne, E. Rytter 

10:50 247. Multi-compound product composition as means for understanding Fischer-Tropsch chemistry. H. Schulz 

11:20 248. Catalysis using gold nanoparticles. G. J. Hutchings 

ACS Award in Industrial Chemistry: Symposium in Honor of Anne M. Gaffney 

Sponsored by BMGT, Cosponsored by CATL, ENFL, and I&EC 

Alternative Fuels: Intellectual Property, Regulatory, and Capital Formation Issues 

Sponsored by SCHB, Cosponsored by ENFL 



MONDAY AFTERNOON 


217 


Nanostructured Materials for Solar Energy Conversion 




1:05 249. Two-pronged approach towards simultaneous optimization of charge transfer and transport in metal oxide 

Section A 

19 of 61 1/27/2013 5:06 PM


nanostructures for light energy conversion. J. Z. Zhang, Y. Li, D. Wheeler, Y. Ling, G. Wang, J. Cooper, R. Fitzmorris, H. 

Wang 

1:40 250. Disorder engineering: Turning TiO2 nanoparticles black. S. S. Mao 

2:10 251. Solar energy harvesting with colloidal nanoparticles. U. Banin 

2:40 252. Engineering the band structure of anatase TiO2 microspheres with a gradient doping for photocatalytic solar 

energy conversion. G. Liu, H. Cheng, G. Lu 


3:10 253. Oxygen-deficient metal oxide nanostructures for photoelectrochemical water oxidation and other applications. 

Y. Li, J. Z. Zhang, G. Wang, Y. Ling, X. Lu, D. Wheeler 

3:40 254. Photocatalytically anchored bismuth vanadate on graphene sheets for water splitting. Y. Ng, A. Iwase, R. 

Amal 

4:10 255. Nanocrystalline CoO as an efficient photocatalyst for total water splitting driven by visible light. J. Bao, L. 

Liao, Q. Zhang, Z. Su, X. Lu, D. Wei, G. Feng, Q. Yu, X. Cai, F. Robles-Hernandez, S. Baldelli 

4:30 256. High efficient visible light driven water reduction by dye-sensitized reduced graphene oxide photocatalyst. G. 

LU, S. Min 


218 


Energy Storage 

R. E. Winans, Organizer 

K. Herwig, Organizer, Presiding 


Section B 

1:15 257. X-ray reflectometryand neutron scattering studies of electrode-electrolyte interactions in the FIRST Energy 

Frontier Research Center. D. J. Wesolowski 

1:45 258. High-temperature redox chemistry of n = 1 Ruddlesden-Popper phases studied in situ by neutron diffraction. 

P. D. Battle, M. Bahout, F. Tonus, T. Hansen, P. F. Henry 

2:15 259. X-ray absorption spectroscopy: An in operando probe of electrode reactions in fuel cells and batteries. D. E. 

Ramaker 


3:00 260. Fundamental studies of fuel cell catalysis using X-rays. A. Nilsson 

3:30 261. In situ neutron reflectometry measurements of the solid electrolyte interphase in Li-ion batteries. J. A. Dura, 

J. E. Owejan, S. C. DeCaluwe, J. P. Owejan 

4:00 262. Dynamic morphological information from environmental studies of ionomers for fuel cell or electrolyzer 

applications. A. M. Herring 

4:30 263. In-situ neutron diffraction studies of solid oxide fuel cell materials. S. McIntosh, R. A. Cox-Galhotra, A. Huq, 

J. Kim, J. P. Hodges, C. Yu, X. Wang, A. J. Jacobson 


219 

Section C 

20 of 61 1/27/2013 5:06 PM



Solar-Drive CO2 Reduction, Reduction and Conversion 



1:15 264. Solar thermal electrochemical process: A fast-track to decrease atmospheric carbon dioxide. S. Licht, J. Lau, 

J. Stuart, B. Cui, B. Wang 

1:55 265. Towards solar thermochemical CO2 capture. L. Matthews, L. Yue, P. P. Ebner, W. Lipinski 

2:25 266. Solar-based thermochemical conversion of CO2 to CO. A. McDaniel, M. Allendorf, J. Scheffe, D. Arifin, A. 

Weimer, A. Ambrosini, E. Coker, I. Ermanoski, J. Miller 


3:05 267. Facile development of platinized TiO2 thin films by gas phase deposition methods for CO2 photoreduction. W. 

Wang, W. An, B. Ramalingam, S. Mukherjee, D. M. Niedzwiedzki, S. Gangopadhyay, P. Biswas 

3:35 268. CO2 binding on titania nanostructures. K. C. Schwartzenberg, K. A. Gray 

4:05 269. Photocatalytic reduction of CO2 with H2O to solar fuels using TiO2-based nanocomposites. L. Liu, H. Zhao, Q. 

Zhang, Y. Li 

4:35 270. Photoreduction of carbon dioxide to methanol using a homogeneous pyridinium catalyst and a ruthenium 

polypyridyl chromophore. D. J. Boston, C. Xu, D. W. Armstrong, F. M. MacDonnell 

5:00 271. Reduction of cerium dioxide in an aerosol tubular reactor for the thermal dissociation of CO2 and H2O. J. R. 

Scheffe, M. Welte, A. Steinfeld 


226 





1:05 272. Towards first-principles electrochemistry. N. Marzari, O. Andreussi, I. Dabo, C. Dupont, N. Bonnet 

1:45 273. Towards atomic scale modeling of the electrochemical interface. J. Rosmmeisl 

2:15 274. Towards a first-principles modeling of electrochemical electrode-electrolyte interfaces. A. Gross 

2:45 275. Simulating charge transfer in fullerenes and oxide materials. J. Blumberger, F. Gajdos, H. Oberhofer, M. 

Dupuis, K. McKenna 


Section D 

3:25 276. Application of first-principles statistical mechanics to elucidate the dynamics of electrodes for Li batteries. A. 

Van der Ven 

4:05 277. DFT design and study of lithium-ion battery electrolytes and anode. E. G. Leggesse, J. Jiang 

4:35 278. Kinetics of Li2O2 formation/decomposition on nanoparticle Au/graphene in Li-air battery. J. Liu, X. Ren 

Section E 

21 of 61 1/27/2013 5:06 PM



239 

E. V. Murphree Award in Industrial and Engineering Chemistry: Symposium in Honor of Esther S. Takeuchi 

Cosponsored by COLL and I&EC 

A. Marschilok, Organizer, Presiding 


2:05 279. Award Address (E. V. Murphree Award in Industrial and Engineering Chemistry sponsored by ExxonMobil 

Research and Engineering Company ). AgxVyOzPO4: Silver vanadium phosphorous oxides as cathode materials in lithium 

batteries. E. S. Takeuchi, A. C. Marschilok, K. J. Takeuchi 

2:35 280. Development of chemical systems for the reduction of dioxygen to water. A. S. Borovik 

3:05 281. Weak interactions: A facile methodology for multiarray electronic detection of proteins. T. J. Meade 

3:35 282. Electrodeposition and capacity measurements of intermetallic anode materials for Li-ion batteries. E. Jackson, 

A. L. Prieto 

4:05 283. Following function in realtime: NMR, PDF, and MRI methods for studying structure and dynamics in batteries. 

X. Hua, N. Trease, L. Zhou, E. Salager, M. Leskes, C. Grey 

4:35 284. Composite air electrode for metal-air batteries. A. C. Marschilok, E. S. Takeuchi, K. J. Takeuchi 

5:05 285. Material advancements for cost effective hydrogen energy storage: Megawatt electrolysis development. K. E. 

Ayers, E. B. Anderson 



238 


D. Jiang, Organizer 

S. Dai, S. K. Nune, Organizers, Presiding 


1:25 286. Strongly coupled inorganic/graphitic-nanocarbon hybrid materials for energy storage. H. Dai 

2:05 287. Fundamental microstructural designing concepts for high capacity and long cycle life of anode materials 

based on carbon and silicon for lithium ion battery. C. Wang, M. Gu 

2:35 288. Carbon cross-linked Si/SiC nanosphere as advanced anode of lithium-ion batteries. Z. Wen, J. Chen 


3:20 289. Graphitic carbon materials for energy applications. J. Liu, Y. Xue, M. Zhang, L. Dai 

Section F 

4:00 290. Structural and morphological evolution of carbon sphere electrodes prepared by autogenic reactions. V. Pol, 

J. Wen, C. Lin, K. Lau, S. Callear, L. Curtiss, W. David, D. Miller, M. Thackeray 

4:30 291. Self-assembly of metal oxide-graphene nanocomposites for energy storage applications. J. Liu 


232 

Section G 

22 of 61 1/27/2013 5:06 PM



Battery and Fuel Cell 

S. Qiao, F. Tao, Organizers 

Y. Yin, Organizer, Presiding 

I. Wachs, Presiding 


1:05 292. Silicon and Germanium nanowires for next generation high capacity lithium ion batteries. A. Chockla, B. A. 

Korgel 

1:45 293. Non-precious metal electrocatalysts based on ordered nanoporous carbon structures for energy conversion 

devices. S. Joo 

2:15 294. Theoretical investigation of cathode catalysts for alternative Li batteries. G. Dathar, W. A. Shelton, Y. Xu 

2:35 295. Engineering graphene with heteroatoms for an enhanced synergistic catalysis. Y. Zheng, J. Liang, S. Qiao 


3:10 296. Insights from studies of multimetallic model electrocatalysts. X. Yang, B. E. Koel 

3:50 297. Non-precious metal catalysts (NPMC): Investigating phosphate ion adsorption. K. Strickland, S. Mukerjee 

4:10 298. Catalysis of the oxygen reduction reaction on bimetallic PtCu nanostructures. E. Coleman, A. Co 

4:30 299. Structural and electronic properties of PdxCu1-x nanoalloys for fuel cells catalysts. M. V. Castegnaro, T. S. 

Burger, M. C. Alves, J. Morais 

4:50 300. Exploiting high activity and durability by tuning nanostructure for electrocatalytic applications. Y. Kang, D. 

Li, N. M. Markovic, V. R. Stamenkovic 


220 


MOFs for Catalysis and Separation 


P. Thallapally, Presiding 


1:05 301. Metal-organic frameworks as nanoreactors for reversible De/Re-hydrogenation reactions. V. Stavila, R. K. 

Bhakta, T. M. Alam, E. H. Majzoub, M. D. Allendorf 

1:35 302. Rational design of metal-metalloporphyrin frameworks (MMPFs) for heterogeneous catalysis. S. Ma 

2:05 303. Catalytically active metal-organic materials. M. Zaworotko, Z. Zhang, Z. Zhang, Y. Ji, J. Antilla 

2:35 304. Metal-organic frameworks for photocatalysis applications. S. Li, Y. Chen, K. Mulfort 


3:15 305. Structurally dynamic metal organic frameworks for light gas separations. C. Matranga 

3:45 306. Photoactive guests as catalysts in metal organic frameworks. R. W. Larsen, C. L. Whittington, L. Wojtasz 

Section H 

23 of 61 1/27/2013 5:06 PM


4:15 307. Metal-organic framework (MOF) materials and membranes for molecular separations. S. Nair 

4:45 308. Molecular understanding of high SO2 adsorption in microporous paddle wheel frameworks. K. Tan, P. Canepa, 

Q. Gong, J. Liu, P. Thallapally, J. Li, T. Thonhauser, Y. J. Chabal 



231 



C. Mesters, J. Schabron, P. Rahimi, Organizers 

B. Shen, Organizer, Presiding 


1:15 309. Technology progress of processing heavy oils in PetroChina. S. He 

1:55 310. Challenges and potential of mixed CoMo sulfide catalysts in the HDO of heavy oils and biomass derived 

feedstocks. J. GILSON, A. Travert, F. Maugé, L. Mariey, A. Popov, E. Kondratieva 

2:25 311. Effect of preparation methods of TiSBA-15 on hydrotreating activity of gas oil using NiMo catalysts. K. K. 

Soni, A. K. Dalai, J. D. Adjaye 

2:55 312. Tuning of the Ni-W sulfide species by extra-framework Al content in USY zeolite and its effect on the 

hydrotreating reaction. J. Li, L. Wang, Y. Wang, W. Wang, Q. Guo, L. Cui, B. Shen 


3:40 313. Combustion of heavy fuel oil. S. Gudiyella, A. Raman, P. Perez-Diaz 

4:10 314. NaY/Kaolin composite as promising FCC catalyst for heavy oil upgrading. H. LIU, H. ZHAO, X. GAO 

4:30 315. Research of catalyst for benzene alkylation. H. Han, J. Mao, D. Hao 

4:50 316. Selective cracking of full range FCC gasoline over modified nanosized HZSM-5 zeolite. Y. Zhao 


235 


Energy Storage 

P. Christopher, Organizer 

S. Yang, Organizer, Presiding 

1:00 317. Graphene-based and graphene-derived materials for energy and fuels. R. S. Ruoff 

1:30 318. Semiconductor nanowires and nanowire heterostructures for charge storage. Y. Li, Y. Tong, X. Lu, G. Wang 

Section I 

Section J 

2:00 319. Electrode materials and interfacial process in energy conversion and storage devices: Strategy and examples. 

L. Wan 

2:30 320. Aluminum nanoparticle stabilization: Polymerization initiation by electron-rich metallic nanoparticles 

(PIERMEN). B. J. Thomas, E. A. Guliants, C. E. Bunker, P. A. Jelliss, S. W. Buckner 

24 of 61 1/27/2013 5:06 PM


2:50 321. Lithium sulfide cathode for Li-sulfur batteries. J. Guo, Z. Yang, L. A. Archer, Y. Yu, H. D. Abruña 


3:20 322. Porous carbon and its nanocomposites for energy storage applications. G. Cao, S. Candelaria, Y. Huang, M. 

Zhang, L. Zhang 

3:50 323. Surface-disordered hydrogenated TiO2 nanocrystals for lithium ion battery. X. Chen 

4:15 324. Stretchable power sources for flexible electronics. B. Wei 

4:35 325. 3D Co3O4 nanoarchitectures constructed with multi-step splitting growth method and their energy storage 

performances. Y. Xiao, A. Zhang, F. Li, Y. Liu, J. Zhao, S. Fang 

4:55 326. On the origin of the enhanced supercapacitor performance of N-doped graphene. E. Paek, A. J. Pak, G. S. 

Hwang 

5:15 327. Rapid microwave fabrication of hierarchical conducting polymer-carbon nanotube structures for energy 

storage applications. Y. Liu, X. Zhang 


240/241 

Section K 


Davis 



1:35 328. Supported iron and cobalt nanoparticles for Fischer Tropsch catalysis. K. P. de Jong 

2:05 329. Interface characterization of sulfated ZrO2 supported on multiwalled carbon nanotubes. G. L. Haller, C. Liu, 

S. Lee, D. Su, L. D. Pfefferle 

2:35 330. Selective catalysis and active structures for direct phenol synthesis and CH4 reforming. M. Tada, L. Wang, S. 

Nagamatsu, S. Zhang, N. Ishiguro, S. Yamamoto, Y. Iwasawa 


3:20 331. Selective oxidation of propane to acetone over Au-(oxoTi) catalysts. N. Mashayekhi, M. Kung, H. H. Kung 

3:50 332. New insights into the water-gas shift reaction over bulk Cr2O3*Fe2O3 mixed oxide catalysts: A combined 

operando Raman-IR-XAS-XPS investigation. C. J. Keturakis, E. Gibson, R. Vasic, F. Tao, A. Frenkel, M. Daturi, I. E. 

Wachs 

4:20 333. Advances in the catalysis of Fischer–Tropsch refining made possible by Burtron H. Davis. A. de Klerk 



Algae, Biofuels, and CO2 

Sponsored by SCHB, Cosponsored by CEI, COMSCI, and ENFL 



25 of 61 1/27/2013 5:06 PM


MONDAY EVENING 


Hall D 

Sci-Mix 

Y. Hu, T. Gardner, Organizers 

8:00 - 10:00 

Section A 

1, 3, 6, 10, 12, 36, 38, 41, 53, 67, 74, 80, 94, 152, 154, 211, 212, 224, 264, 277, 295, 297, 316, 325, 331. See 

previous listings. 

365, 366, 370, 395, 409, 446, 449, 450, 453, 454, 480, 511, 513, 514, 519, 523, 524, 527, 528, 531, 543, 554, 

556, 558, 563, 564, 566, 567, 568, 571, 587, 590, 597, 601, 605, 611, 613, 666, 681, 684, 693, 709, 714, 716, 

734, 737, 741, 756, 781, 787, 791, 794, 795, 803, 814, 825, 830. See subsequent listings. 

TUESDAY MORNING 


217 


Photocatalysis and Solar Fuels 




8:05 334. Multicomponent nanocrystals for solar photovoltaics and photocatalysis. A. Alivisatos 

8:40 335. Activation and electrocatalytic reduction of carbon dioxide. B. Viswanathan 

Section A 

9:10 336. Structure-function analyses of solar fuels catalysts in natural and artificial photosynthesis. D. M. Tiede, O. 

Kokhan, P. Du, D. Fazi, S. Silver, L. M. Utschig, A. Mukherjee, K. L. Mulfort 


9:55 337. Using self-assembly to control photophysics and nanoscale architecture in semiconducting polymer/fullerene 

solar cells. S. H. Tolbert 

10:25 338. Cobalt oxide core – silica shell units for artificial photosynthesis. H. Frei 

10:55 339. Novel solar energy conversion materials by design of Mn(II) oxides. S. Lany, H. Peng, P. Ndione, A. 

Zakutayev, D. S. Ginley 

11:15 340. Dye sensitized solar cells and related technologies: Recent developments and problems to solve. B. 

O'Regan 


218 


Section B 

26 of 61 1/27/2013 5:06 PM


R. E. Winans, K. Herwig, Organizers, Presiding 


8:35 341. Investigating the voltage fading mechanism in Li1.2Co0.1Mn0.55Ni0.15O2 lithium-ion battery cathode by in 

situ X-ray diffraction studies. D. Mohanty, S. Kalnaus, R. Meisner, J. Li, E. Payzant, D. Wood, III, C. Daniel 

8:55 342. High pressure phase transitions in methane and carbon dioxide hydrates. C. A. Tulk, S. Machida, D. D. Klug, 

M. Guthrie 

9:25 343. Neutron scattering for carbon capture and sequestration. Y. B. Melnichenko 


10:10 344. Determination of the inner morphology of organic solar cells with grazing incidence small angle neutron 

scattering. M. A. Ruderer, R. Meier, S. Guo, C. M. Palumbiny, D. Magerl, L. Porcar, R. Cubitt, P. Muller-Buschbaum 

10:40 345. SAXS studies of the effects of additives in flames. J. B. Mitchell, J. Le Garrec, S. di Stasio 

11:00 346. Distinguishing between order and disorder in materials for energy applications. P. Khalifah 

11:30 347. In situ synchrotron-based X-ray scattering studies of nanoporous metal-organic frameworks. G. Halder, K. 

Chapman 



219 


Chemical Looping Based CO2 Capture 



8:25 348. Ceramic membranes for carbon dioxide capture. I. S. Metcalfe 

Section C 

9:05 349. Optimal experimental design of fixed-bed chemical-looping combustion systems. L. Han, Z. Zhou, A. Fischer, 

G. M. Bollas 

9:25 350. Chemical looping: A novel process for syngas generation. S. Bhavsar, G. Veser 

9:45 351. Chemical looping combustion development and perspectives. S. Bertholin, F. Guillou, S. Bourgeon, H. 

Stainton 


10:20 352. Comparison of chemical looping combustion coupling with uncoupling. Y. Cao, S. Sit, W. Pan 

11:00 353. Investigation of supported iron oxide reduction by methane. S. Luo, E. Chung, L. Zeng, L. Fan 

11:20 354. Ni-, Fe-, and bimetallic FeNi-CeO2 oxygen carriers for application in chemical looping combustion. S. 

Bhavsar, G. Veser 

11:40 355. Petcoke chemical looping combustion in a continuous 10 kWth pilot plant. T. Sozinho, W. Pelletant, M. 

Yazdanpanah, S. Bertholin 


226 

Section D 

27 of 61 1/27/2013 5:06 PM





8:00 356. How do metal clusters split water? Towards a theoretical understanding of co-catalysts for water oxidation. H. 

Oberhofer, K. Reuter 

8:40 357. First principles analysis of selectivity trends in heterogeneous biomass conversion. B. Liu, R. Rankin, J. 

Greeley 

9:10 358. Hydrogen storage in porous materials and nanoalloys as catalysts for fuel cell application by using multiscale 

simulation and experimental methods. D. Cheng, D. Cao, W. Wang 

9:40 359. DFT studies of ethonal decomposition on Rh catalyst with and without water. J. Zhang, X. Cao, P. Hu, Z. 

Zhong 


10:10 360. Predicting desulfurization and combustion chemistry. W. H. Green, C. A. Class, S. S. Merchant, A. K. 

Vasiliou 

10:40 361. Complexity in the transformation of biomass derived compounds: A theoretical approach. N. Lopez 

11:10 362. First-principles-based kinetic Monte Carlo simulations of methanol synthesis on copper surfaces. D. Mei 

11:40 363. DFT study of Mo2C and M-MoS2 surface morphology and catalysis. T. Wang, Y. Chen, H. Jiao 


238 

Bioenergy and Biofuels 

Cosponsored by CEI 

D. Robichaud, M. Nimlos, L. Moens, Organizers 

C. Mukarakate, F. Zhao, Organizers, Presiding 


8:15 364. Reassessment of global bioenergy potential in 2050. S. Y. Searle, C. J. Malins 

Section E 

8:35 365. Renewable fuels' heat of vaporization values measured with vacuum thermogravimetric analysis method. G. 

Zhou, S. H. Roby, T. Wei, N. Yee 

8:55 366. Direct conversion of waste cooking oil into biodiesel via direct sonication. G. E. Grant, V. Gude 

9:15 367. Pathways in the low-temperature oxidation chemistry of alcohols. O. Welz, J. Zádor, J. D. Savee, A. J. Eskola, 

L. Sheps, D. L. Osborn, C. A. Taatjes 

9:35 368. Low temperature properties of renewable terpenoid fuel blends. B. G. Harvey, H. A. Meylemans, L. C. 

Baldwin 


10:10 369. Enthalpy biofuels unified performance. N. M. Irving 

10:30 370. Organocatalytic upgrading of biorefining building blocks and subsequent transformation to liquid fuels. D. 

Liu, E. Y. Chen 

10:50 371. Hydrodeoxygenation of palmitic acid using molybdenum carbide catalysts in high-temperature water. A. R. 

Franck, P. E. Savage, L. T. Thompson 

11:10 372. Experimental, modeling, and optimization of pilot plant scale biodiesel production using heteropolyacid 

28 of 61 1/27/2013 5:06 PM


catalyst in a reactive distillation. I. Noshadi, B. Kanjilal, N. Saidina Amin, P. Babamohammadi 

11:30 373. Conversion of biomass-derived furans into hydrocarbon fuels. L. Moens, D. K. Johnson 


238 





Section F 

8:25 374. Graphene-based and graphene-derived materials, and a perspective on future materials, for energy storage 

and thermal management . R. S. Ruoff 

9:05 375. Crumpled graphene balls for scalable energy applications. J. Huang 

9:35 376. Binder free, graphene/ MnO2 nanowire – graphene/ V2O5 composite electrodes for hybrid supercapacitors. S. 

D. Perera, K. J. Balkus 


10:10 377. Graphene-based flexible supercapacitors and lithium ion batteries. N. Li, Z. Chen, Z. Weng, D. Wang, F. Li, 

W. Ren, H. Cheng 

10:50 378. Graphene-based and graphene-derived porous materials for energy storage and conversion. X. Feng 

11:20 379. Magnetism of nanographene and nanographite. T. Enoki 

11:50 380. Room temperature simultaneous chlorination/nitrogenation of graphene nanosheets for supercapacitors. D. 

WANG 


232 


Characterization and Design of Catalysts 

Y. Yin, F. Tao, Organizers 

S. Qiao, Organizer, Presiding 


8:20 381. 3D nanostructured catalysts for energy conversion studied with electron tomography. K. P. de Jong 

Section G 

9:00 382. Subnanometer to nanometer size catalysts for C-H bond activation: From precious metals to alternatives. S. 

Vajda, S. Lee, M. Di Vece, B. Lee, S. Seifert, R. Winans, L. Pfefferle, G. Haller, G. Ferguson, J. Greeley, L. Curtiss, Q. 

Qian, M. Neurock 

9:30 383. Atomic-scale imaging of catalysts in their functional state by aberration-corrected environmental transmission 

electron microscopy (ETEM). J. R. Jinschek 


10:05 384. Controlled synthesis of nanostructured catalysts. S. Dai 

29 of 61 1/27/2013 5:06 PM


10:45 385. Green routes for synthesizing zeolite catalysts. F. Xiao, X. Meng, L. Ren, F. Liu, H. Zhang 

11:15 386. Characterization of alkali species in lignite for improved catalytic coal gasification. D. J. Marchand, E. 

Schneider, I. Trivedi, Y. Kim, J. Kim, G. Kim, S. H. Kim 

11:35 387. In-situ characterization of nickel-iron catalysts for the oxygen evolution reaction. M. W. Louie, A. T. Bell 


220 

Hydrogen Production, Storage, and Utilization 

Hydrogen Production 

D. Tran, J. L. Liu, Organizers 

Y. Chen, C. Xie, Organizers, Presiding 


8:05 388. Nickel-based catalysts for H2 generation using Earth-abundant catalysts. P. L. Holland, Z. Han, W. R. 

McNamara, L. Shen, M. Eum, R. Eisenberg, F. Qiu, T. D. Krauss 

8:35 389. Deactivation of reforming catalysts. D. Shekhawat, D. J. Haynes, M. W. Smith, D. A. Berry, J. J. Spivey 

Section H 

9:05 390. New ideas in fuel reforming and hydrogen generation for distributed, mobile, and portable applications. A. G. 

Fedorov 

9:35 391. Highly active and stable Ir/MgAl2O4 and Rh/MgAl2O4 catalysts for tar and methane steam reforming: A 

combined theoretical and experimental study. R. A. Dagle, V. Lebarbier, K. O. Albrecht, D. Mei, V. Glezakou, L. Kovarik, 

R. Rousseau 

9:55 392. Steam reforming of methane at low temperature in an electric field. T. Shinagawa, K. Oshima, Y. Sekine 


10:30 393. Modified gaphite oxide as photocatalyst for hydrogen production from water splitting. T. Yeh, H. Teng 

11:00 394. Immobilization of Zn(1-x)CdxS (x=0.2-0.5) on MAO TiO2 film and the photocalytic property for H2 

production. z. yao, x. mo, l. wang, b. chen, z. jiang 

11:20 395. Hydrothermal synthesis ZnxCd1-xS solid solution coupled with TiO2 nanotubes film for photocatalytic 

hydrogen production. z. yao, f. jia, z. jiang 


231 



B. Shen, C. Mesters, P. Rahimi, Organizers 

J. Schabron, Organizer, Presiding 


8:05 396. Solidothermal synthesis of zeolites from solid starting materials. F. Xiao, L. Ren, Q. Wu, L. Zhu, X. Meng 

8:35 397. Influence of cerium ions on cracking performance of zeolites Ce, H (Na) Y. Z. HaiTao, G. XiongHou, Z. 

ZhongDong 

Section I 

30 of 61 1/27/2013 5:06 PM


9:05 398. Commercial test of heavy oil upgrading FCC catalyst LOG-90 for maximizing gasoline octane number. J. 

Zhang, C. Jiang 

9:35 399. Deep hydrodesulfurization of gas oils produced by different processes on a highly active unsupported 

catalyst. C. Yin, L. Zhao, S. Zhang, Y. Liu, C. Liu 


10:20 400. Impact of rare earth ions' location in REUSY on its properties and performances. H. Duan, Z. Tan, D. Li, X. 

Gao 

10:50 401. Characteristic performance of LDO-75 catalyst for residue catalytic cracking. X. Gao, H. Zhang, Z. Pan, X. Li 

11:20 402. Template-free synthesis of dispersed nano-ZSM-5 zeolite with enhanced thermal/hydrothermal stability. C. 

Liu 



235 


Catalysis 

P. Christopher, S. Yang, Organizers, Presiding 

Section J 

8:30 403. Manganese-based oxides for electrocatalytic oxygen reduction. F. Fangyi Cheng, X. Han, J. Du, T. Zhang, J. 

Liang, Z. Tao, J. Chen 

9:00 404. Utilization of functionalized graphene and its nanocomposites as a catalyst support in fuel cells. B. Saner 

Okan, S. Alkan Gursel, Y. Yurum 

9:20 405. Direct synthesis of hydrogen peroxide over Palladium nanocatalyst immobilized on the functionalized resin. J. 

Kim, Y. Chung, S. Kang, C. Choi, B. Kim, Y. Kwon, T. Kim, S. Oh, C. Lee 

9:40 406. Tuneable ZnOCu catalyst system for CO2 hydrogenation to methanol. N. J. Brown, J. Weiner, M. S. Shaffer, 

C. K. Williams 

10:00 Discussion. 

10:15 407. Scanning tunneling microscopy and theoretical study of water adsorption on Fe3O4 and of water-gas shift 

reaction on Au/Fe3O4 . K. W. Rim, D. Eom, S. Chan, M. Flytzani-Stephanopoulos, G. W. Flynn, X. Wen, E. R. Batista 

10:35 408. Thermal and catalytic stability of magnesium aluminate spinel supported Pt nanoparticles. W. Li, L. Kovarik, 

D. Mei, J. Liu, Y. Wang, C. H. Peden 

10:55 409. Diffusional properties of ceria-zirconia-yttria catalyst supports with differing mesoporosity. A. I. Morales, D. 

A. Bruce 



240/241 

Section K 


Davis 


31 of 61 1/27/2013 5:06 PM



8:35 410. Investigation of support effects on Co coordination environment under in-situ steam reforming conditions of 

bio-derived liquids. U. S. Ozkan, I. Soykal, H. Sohn 

9:05 411. Deactivation of a Co FTS catalyst by carbon: Insights from theory and experiment, from real catalysts to 

single crystal surfaces. J. W. Niemantsverdriet, C. J. Weststrate, I. M. Ciobica, D. J. Moodley, A. M. Saib 

9:35 412. Learnings from Co Fischer-Tropsch catalyst studies. S. L. Soled, G. Kiss, C. Kliewer, J. Baumgartner, E. 

El-Malki 


10:20 413. Energy, space propulsion, and catalysis: An exciting adventure. C. Kappenstein, Y. Batonneau, R. Brahmi, 

L. Pirault-Roy 

10:50 414. Optimum crystallite size and distribution for cobalt Fischer-Tropsch catalysts. J. van de Loosdrecht, M. 

Datt, K. Visagie 

11:20 415. Deactivation mechanistic studies of copper chromite catalyst for selective hydrogenation of 

2-furfuraldehyde. C. L. Marshall, D. Liu, D. Zemlyanov, T. Wu, R. J. Lobo-Lapidus, J. A. Dumesic, J. T. Miller 



TUESDAY AFTERNOON 


217 


Solar Fuels 



1:30 416. Solar fuels from thermochemical gas splitting. B. Meredig, H. Hansen, C. Wolverton 

2:05 417. Recent development of solar cells and solar fuels at the Center for Molecular Devices. A. Hagfeldt 

2:35 418. Metal-free photocatalysts: g-C3N4 and α-sulfur. G. Liu, P. Niu, G. Lu, H. Cheng 

2:55 419. Experimental demonstration of a 100 kW solar pilot plant for the thermal dissociation of zinc oxide. W. 

Villasmil, M. Brkic, A. Meier, A. Steinfeld 


3:40 420. High efficiency water splitting with nanostructured oxide tandem cells. J. Brillet, K. Sivula 

Section A 

4:10 421. Anatase titanium dioxide crystals with exposed {001} facets for photocatalysis and solar cells. H. Zhao, H. 

Zhang, P. Liu, Y. Wang 

4:40 422. Photochemical reduction of CO2 to methanol using dye-doped ZnS nanoparticles. D. Leonard, M. Heagy, V. 

Chang 

5:00 423. Efficient design and synthesis of non-fullerene acceptors for organic photovoltaics. J. R. Sommer, P. I. 

Djurovich, M. E. Thompson 


Section B 

32 of 61 1/27/2013 5:06 PM


218 

Frontiers in Energy and Fuels Research 

G. Hwang, B. Choi, Organizers 

G. S. Hwang, Presiding 


1:05 424. First principles based theory and applications to understanding and developing new catalysts for energy and 

fuels. W. Goddard III, R. Nielsen, B. Merinov, M. Mu-Jeng Cheng, M. Cortez 

1:45 425. Computational analyses of nanostructured materials reactivity. P. B. Balbuena, G. Ramos-Sanchez, J. M. 

Martinez de la Hoz 

2:15 426. Molecular dynamics simulation of polysulfone-based anion exchange membrane fuel cell. K. Han, J. Choi, S. 

Jang 

2:45 427. Build effective cathode catalyst to enhance fuel cell performance. J. Liu, Y. Yuan, S. Bashir 


3:25 428. Characterization and surface chemistry of titania-supported bimetallic clusters. R. Galhenage, H. Yan, K. Xie, 

A. Duke, D. Chen 

3:55 429. Seeing small: Enabling new discoveries in energy materials through advanced transmission electron 

microscopy. P. FERREIRA 

4:25 430. Membrane electrode assembly with durable Pt-free catalyst for high temperature PEMFC. C. Pak, D. You, S. 

Jin, K. Lee 

4:55 431. First-principles study of oxygen reduction reaction mechanism on Pt-alloy bimetallic electrocatalysts. G. 

Wang, Z. Duan, S. Kattel 


219 


Electrochemical CO2 Reduction 



Section C 

1:35 432. Electrochemistry of aqueous pyridiniums: A key component in the electrocatalytic reduction of carbon dioxide 

to methanol. Y. Yan, A. Bocarsly 

1:55 433. Low temperature hydrogenation of carbon dioxide assisted by an electric field. K. Oshima, T. Shinagawa, T. 

Yabe, Y. Sekine 

2:15 434. Electrochemical separation of CO2 by quinone reduction in ionic liquids. B. Gurkan, F. Simeon, K. Vicari, T. A. 

Hatton 

2:35 435. Electrochemically-mediated membrane separations for CO2 capture. K. J. Vicari, B. Gurkan, F. Simeon, M. 

Stern, T. A. Hatton 


3:10 436. Stress controlled chemisorption and catalysis. M. F. Francis, W. A. Curtin 

33 of 61 1/27/2013 5:06 PM


3:30 437. Design of new systems for the electrochemical conversion of carbon dioxide to fuels. J. Rosenthal, J. L. 

DiMeglio, G. A. Andrade 

3:50 438. Synthesis of solid amine sorbents from fly ash for CO2 capture. Z. Zhang, B. Wang, Q. Sun 

4:10 439. Amino acid and amino acid-complex based solid sorbents for CO2 capture. X. Wang, B. Jiang, M. Gray, Y. 

Duan, B. Li 


226 





Section D 

1:35 440. Electronic properties of modified tungsten heteropolyacids: DFT modeling. P. Niemiec, R. Tokarz-Sobieraj, R. 

Grybos, M. Witko 

2:15 441. Fundamental research on high-efficient carbon capture in biogas production. X. LU 


3:10 442. Methane oxidation to methanol over the "O-Fe" embedded in graphene. S. Impeng, A. Thivasasith, C. 

Warakulwit, P. Khongpracha, J. Limtrakul 

3:30 443. Effects of doped N and its location on the reaction of alkyne hydrochlorination catalyzed by graphene 

supported AuCl3. Q. Du, Z. He, J. Zhang, W. Li, Y. Han 

3:50 444. Nanoporous materials by design for carbon capture and storage. L. Li, E. Cockayne 



239 


D. Robichaud, L. Moens, M. Nimlos, Organizers 

C. Mukarakate, F. Zhao, Organizers, Presiding 


Section E 

1:15 445. Algal-based hydrotreated renewable diesel: Characterization and development of a surrogate fuel mixture. D. 

J. Luning Prak, D. T. Hoang, L. J. Hamilton, J. S. Cowart 

1:35 446. Extractive-transesterification of algal biomass into biodiesel under supercritical methanol and microwave 

conditions. V. Gude, P. Patil, S. Deng 

1:55 447. Converting algal triglycerides to distillate fuels: Deoxygenation to alkanes. H. J. Robota, J. C. Alger 

2:15 448. Thermo-chemical conversion of Chlorococcum sp. for sustainable biofuel. D. J. Subagyono, M. Marshall, W. 

Jackson, A. L. Chaffee 

2:35 449. Molecular mechanism of carotenoid regulation in photosynthetic organisms: Cis-trans isomerization of 

prolycopene by CRTISO. V. K., A. Parmar, S. Kannan, J. Dasgupta 

34 of 61 1/27/2013 5:06 PM



3:05 450. Efficient fermentative production of 1,3 propanediol from industrial waste glycerol and soil based bacterial 

innocula. B. Kanjilal, I. Noshadi, N. Intoci, J. Helble, R. Srivastava, R. Parnas 

3:25 451. Fast hydrolysis of cellulose and xylan to monosugars by using hydrolyzing enzymes. K. Yang, L. Sutarlie, J. 

He 

3:45 452. Characterization of a Clostridium species strain G117 that produces biofuel chemicals. A. Ma, J. He 

4:05 453. Enzymatic hydrolysis and structural characterization of furfural residue treated with different delignification 

solvents. S. Sun, M. Li, F. Xu, R. Sun 

4:25 454. Easy method for microbial hydrogen production at pH below 4.0. D. C. Johnson, V. Gadhamshetty, N. 

Nirmalakhandan, G. B. Smith 


238 


S. K. Nune, S. Dai, Organizers 

D. Jiang, Organizer, Presiding 

H. Cheng, Presiding 


Section F 

1:35 455. Electrocatalytically switchable CO2 capture: First principle computational exploration of CNT membranes with 

pyridinic nitrogen. J. YAN, A. Du, S. C. SMITH 

2:05 456. Formation of active sites for oxygen reduction reactions by transformation of nitrogen functionalities in 

nitrogen-doped carbon nanotubes. T. Sharifi, G. Hu, X. Jia, T. Wagberg 

2:35 457. Palladium supported on graphene, carbon nanotubes, and graphene/carbon nanotube composites for the 

electrochemical oxidation of alcohols in alkaline media. B. F. Machado, A. Marchionni, R. R. Bacsa, M. Bellini, J. 

Beausoleil, W. Oberhauser, F. Vizza, P. Serp 

2:55 458. Theoretical study of nitrogen boron co-doped graphene as efficient oxygen reduction reaction catalysts for 

fuel cell. L. Zhang, Z. Xia 


3:30 459. Porous carbon and graphene based materials for enhanced electrochemical conversion. J. Liang, Y. Zheng, S. 

Qiao 

4:00 460. Modeling carbon based non-precious metal catalyst active site structures for the oxygen reduction reaction in 

PEFC cathodes. E. F. Holby, C. D. Taylor 

4:20 461. Searching for the active sites on carbon catalysts. V. Schwartz, C. Liang, W. Fu, Z. Wu, G. P. Dathar, A. J. 

Rondinone, S. H. Overbury 

4:40 462. Facile synthesis of N-doped mesoporous carbon materials with highly graphitic properties for oxygenreduction 

electrochemical catalysts. D. Kim, P. Zelenay, B. F. Chmelka 


232 


Energy Conversion Catalysts 

Section G 

35 of 61 1/27/2013 5:06 PM


F. Tao, Organizer 

Y. Yin, S. Qiao, Organizers, Presiding 


1:35 463. Understandingthe new class of Pt3X, and Pt5X (X= Sc, Y, La, Gd and..) oxygen reduction catalysts and their 

activation mechanism. I. Chorkendorff 

2:10 464. Theoretical investigation of oxygen evolution reaction in layered cobalt oxides. M. Bajdich, M. Garcia-Mota, J. 

K. Norskov, A. T. Bell 

2:30 465. DFT analysis on the pathways of Ir and Rh complexes for HCOOH production as a means of hydrogen storage. 

S. Antony, W. F. Schneider 

2:50 466. Low temperature synthetic route for thin film metal oxides for electrochemical energy storage. J. R. Gomez, 

E. E. Kalu 

3:10 467. Effect of rare earth element promotion of NiOx on OER catalytic activity. Y. Cai, A. T. Bell 


3:45 468. Solar fuels production by highly efficient photocatalysts and photoelectrocatalysts: Roles of cocatalysts and 

junctions. C. Li 

4:20 469. Aromatic stabilization as a design principle for electro- and photo-electrochemical 1e - CO2 reduction 

catalysts. C. B. Musgrave, C. Lim, A. M. Holder 

4:40 470. Nanostructured Pt-Ni catalyst supported on the titania nanotubes as electrocatalysts for borohydride 

oxidation. L. Tamašauskaitė-Tamašiūn, A. Balčiūnaitė, A. Zabielaitė, E. Norkus 

5:00 471. Fabrication of heterogeneous exposed core–shell catalyst array using the space specificity of an embodied 

micelle and their application to a high performance photocatalyst. J. Park, K. Choi, J. Choi, D. Lee, H. Jeon, J. Kang 



220 


Hydrogen Production 

D. Tran, J. L. Liu, Organizers 

Y. Chen, C. Xie, Organizers, Presiding 


1:05 472. High temperature steam electrolysis at novel strontium titanates cathodes. J. T. Irvine, G. Tsekouras, D. 

Neagu 

Section H 

1:35 473. Electrochemical carbon nanotube filter for simultaneous anodic wastewater oxidation and cathodic hydrogen 

production. C. D. Vecitis 

2:05 474. Molecular hydrogen production via water decomposition on Zirconia nanoparticles. T. M. Orlando, M. P. 

Poston, A. Alexandrov, D. E. Sabo, Z. J. Zhang 

2:35 475. Computational evidence for hydrogen generation by reductive cleavage of water and α-H abstraction on a 

molybdenum complex. J. Li 


3:10 476. Behavior of molecular organometallic and inorganic catalysts during water oxidation. D. B. Grotjahn, D. C. 

36 of 61 1/27/2013 5:06 PM


Marelius, J. M. Kamdar, D. B. Brown, J. K. Martin, M. Z. Abadjian, H. N. Tran, G. Kalyuzhny, K. S. Vecchio, Z. G. Specht, 

M. M. Uteuliyev, Q. Cao 

3:40 477. Biohydrogen production using a hyperthermophile. T. Kanai, T. Imanaka, H. Atomi 

4:00 478. Direct photobiological hydrogen production using cyanobacterial photosystem I. P. Frymier, R. Le 

4:20 479. High-purity hydrogen production from H2S splitting by synergy of nonthermal plasma and photocatalysis. L. 

Zhao, Y. Wang, L. Jin, M. Qin, X. Li, A. Wang, C. Song, Y. Hu 

4:40 480. Development of predictive model equation for hydrogen production from hydrothermal reaction of sulfide. P. 

Setiani, N. Watanabe, A. Kishita, N. Tsuchiya 


231 

Fuel Cell Science and Technologies 

S. McIntosh, Organizer 

C. Wang, Organizer, Presiding 


1:05 481. Exploring the role of phosphate on nickel electrocatalysis. S. Minteer, G. Lee 

Section I 

1:35 482. Palladium-based catalysts and small organic molecule fuels for alkaline direct liquid fuel cells. J. L. Haan, A. 

M. Bartrom, A. Sadiki, J. Ta, K. Tran 

1:55 483. Sacrificial support method: Design of open-frame non-PGM catalysts. A. Serov, K. Artyushkova, P. Atanassov 

2:15 484. Nanostructured electrocatalyst for oxidation of alcohols in alkaline electrolyte. A. Serov, U. Martinez, M. 

Padilla, P. Atanassov 

2:35 485. High surface area Mo2N: Novel durable support for fuel cell electrocatalysts. A. Roy, A. Serov, E. Brosha, P. 

Atanassov, T. Ward 

2:55 486. Nanoparticle stability and dealloying in PEMFC cathodes. D. Morgan, B. Puchala, E. Holby, L. Wang, S. Lin 


3:25 487. Developing molecular mechanism for oxygen reduction reaction and using it to design Pt-free 

electrocatalysts. A. Holewinski, S. Linic 

3:55 488. Structure-to-property relationship between chemistry, hierarchy of morphology, and performance for 

non-platinum ORR electrocatalysts. K. Artyushkova, M. Workman, A. Serov, B. Kiefer, P. Atanassov 

4:15 489. ORR activity enhancement in Pd-based alloy catalysts and its underlying mechanisms: A first principles 

study. D. Manogaran, G. S. Hwang 

4:35 490. Metal oxides/CNT nano-composite catalysts for oxygen reduction and oxygen evolution in alkaline media. N. 

Andersen, A. Serov, P. Atanassov 

4:55 491. Synthesis of Au-Pd bimetallic nanocrystals with high-index-faceted nanocrystals and study of their 

electrochemical property. D. Kim, S. Han, S. Lee 


235 

Advances in Batteries 

Lithium Ion Cathodes 

Section J 

37 of 61 1/27/2013 5:06 PM


S. Meng, Organizer 

B. Landi, Organizer, Presiding 


1:35 492. Composite electrodes utilizing carbon substrates. E. S. Takeuchi, A. C. Marschilok, K. J. Takeuchi 

2:05 493. Mechanism of Li-ion transport and capacity fading in LiCoO2 cathodes via HF attack and the protective role of 

an alumina coating. C. Musgrave 

2:35 494. Origin of thermal instability in charged cathode materials for Li-ion batteries: Combined in situ synchrotron 

X-rays and electron microscopy study. K. Nam, S. Bak, E. Hu, X. Yu, Y. Zhou, L. Wu, Y. Zhu, W. Chang, E. A. Stach, K. 

Chung, X. Yang 

3:05 495. Vanadium oxide mesocrystals: Synthesis, formation mechanism, and application in lithium-ion battery. E. 

Uchaker, G. Cao 


3:40 496. Increasing redox shuttle oxidation potentials to match high voltage cathodes in lithium-ion batteries. S. 

Odom, S. Ergun, C. Elliott, C. Gandy, E. Walsh 

4:10 497. Chemical and structural engineering of nanomaterials for advances in batteries. D. Ha, M. Aksit, R. D. 

Robinson 

4:40 498. Novel computational techniques for next-generation Li-ion batteries. S. Leoni, L. Craco 

5:00 499. Enhanced lithium ion battery energy density with carbon nanotube current collectors. M. J. Ganter, J. Staub, 

G. Clarke, R. E. Rogers, M. W. Forney, C. M. Schauerman, B. J. Landi 

5:20 500. Next generation oxoanion battery materials. P. Khalifah 


240/241 

Section K 


Davis 



1:35 501. Pretreatment effect studies with Co/Al2O3 catalyst for Fischer-Tropsch synthesis. Z. Pan, M. Parvari, D. B. 

Bukur 

2:05 502. Production of green fuel via catalytic distillation. F. T. Ng, A. Sarkar, Y. Xu, G. L. Rempel 

2:35 503. Factors influencing the configuration of an XTL plant. R. L. Espinoza 


3:20 504. Velocys Fischer-Tropsch synthesis technology: New advances on the state of the art. S. C. LeViness 

3:50 505. Use of structured data for Fischer Tropsch micro reactor testing: 10 years of development. M. Janse van 

Vuuren 

4:20 506. Chevron's gas conversion catalysis: Hybrid catalysts for wax-free Fischer-Tropsch synthesis. T. K. Das, K. 

Jothimurugesan, H. S. Lacheen, C. L. Kibby, R. J. Saxton 


Section L 

38 of 61 1/27/2013 5:06 PM


Hall D 

Advances in Energy and Fuels Processes, Systems, Materials and Utilization 

T. Gardner, Y. Hu, Organizers 

2:00 - 4:00 

507. Cold breaking point of diesel: Effect of poly(1-olefin-co-maleic acid alkylaminde) with various length of alkyl side 

chain. J. Yang, J. Xu, J. Sun, Y. Shu, C. Zhou, M. Wang, L. Li, X. Guo 

508. Effect of poly(styrene-co-maleic acid alkylamine) on flow abiility of waxy crude oil. C. Zhou, J. Xu, J. Sun, Y. Shu, L. 

Li, X. Guo 

509. Bifacial CuInGaS2 thin film solar cells by a low cost paste coating method. H. Jeon, S. Park, B. Min 

510. Preparation and magnetic properties of CoFe2O4/PVP nanocomposite thin-films. X. Liu, S. Liu, S. O'Brien 

511. Discrete all-atom simulations: Predicting fit-for-purpose properties of fuels. K. P. Van Nostrand, J. A. Harrison 

512. Robust N-rich porous organic framework for CO2 capture and separation. M. C. Das, J. Lin, W. Zhou, T. Yildirim, G. 

K. Shimizu 

513. Fate of the chlorine in coal char during fixed-bed CO2 gasification. N. Tsubouchi, T. Saito, Y. Ohtsuka 

514. Energy upgrading of bio-oil model compound via electrocatalytic hydrogenation. C. Lam, J. E. Jackson 

515. Pulsed laser deposition ofNiO@MnO2 core/shell nanosheet arrays for high-performance energy storage. H. Wang, 

X. Wang 

516. Production of biodiesel through ozonolysis and hydrocracking. K. McGill, J. McPhail, T. Hall, J. K. Dickens, E. 

Sova, B. Herrin, M. Hilliard, M. Youngs 

517. Investigation on characteristics of CaCO3 cyclic calcination/carbonation reaction in high CO2 atmosphere. H. Li, W. 

Yang, Y. Duan, Y. Min 

518. Kinetics study of calcium carbonate decomposition at high CO2 environment. H. Li, L. Zhang, Y. Duan, Y. Min 

519. Synthesis of rectangular hollow nanotape of polyaniline grafted amino functionalized reduced graphene oxide: 

Efficient alternate material of TiO2 for dye sensitized solar cell. S. Chatterjee 

520. Hydrooligomerization of acetylene from electrocracking gas over Ni/CNFs catalyst. A. S. Ismail 

521. Remarks on constitutive modeling of slag. M. Massoudi, P. Wang 

522. Investigation of Si/C composite materials as an anode for Li-ion batteries. H. Seo, K. Kim, C. Yi 

523. Tri-reforming of methane over Pt modified Ni/MgO. H. Jiang, W. Hua, J. Ji 

524. Direct measurement of hydrate adhesion force to quartz and calcite. W. J. Leith, Z. M. Aman, C. A. Koh, A. K. 

Sum, E. D. Sloan 

525. Catalytic fuel processing of natural gas to hydrogen for polymer electrolyte membrane fuel cells. D. Lee, J. Kim, H. 

Lee, E. Park 

526. Modeling and studies in direct carbon-biomass fuel cell for power generation. R. B. Lima, J. Li, J. Brouwe 

527. Carbonate based electrolytes for lithium sulfur silicon batteries. M. Philipp, B. Rieger 

528. Synthesis, characterization, and electrochemical properties of phosphate based composition LiNi4(PO4)3. A. 

Navulla, L. Meda 

529. Investigation of the interfacial behavior of various asphaltenes under severe refinery and transport conditions with 

customer designed apparatus. G. Yu, K. Karinshak, B. Grady, J. Harwell, M. Ghosh, A. Woodside 

530. Ultrathin coating of Al2O3 on negative electrode for lithium ion batteries. M. Yang, S. Lee 

531. Poly-substituted pyridines: Probing structural/electronic influences on catalytic activity of the “Bocarsly” 

39 of 61 1/27/2013 5:06 PM


pyridinium-based catalyst system for reduction of CO2 to methanol. R. N. Dominey, E. W. Goldman, R. Abdul-Satar, K. 

Faust, J. Griswold, D. Guglielmo, C. Elia, S. Wilson, M. Newman, A. B. Bocarsly, E. Zeitler 

532. Alkylation of light alkenes with zeolite hydrogen beta. B. S. Gevert, A. Azadrad, K. Glembring, C. Hallung, S. 

Palanisamy 

533. Titania self-ordered nanotubes and flat surfaces as a support for the deposition of nanostructured Pt-Ni catalyst: 

Enhanced electrocatalytic oxidation of ethanol. L. Tamašauskaitė-Tamašiūn, A. Balčiūnaitė, A. Zabielaitė, A. Selskis, 

E. Norkus 

534. Towards microalgae bio-refinery: From harvesting microalgae to sorbent assisted catalysis of fuel feedstocks using 

magnetic mesoporous silica nanomaterials. K. Kandel, B. G. Trewyn, I. I. Slowing 

535. Characterization of shale and kerogen from a Green River oil shale core. A. M. Orendt, M. S. Solum, J. C. Facelli, R. 

J. Pugmire, K. W. Chapman, R. E. Winans, P. Chupas 

536. Production of air-stable aluminum nanoparticles using polyesters as capping agents. A. Patel, E. A. Guliants, C. E. 

Bunker, P. A. Jelliss, S. W. Buckner 

537. Optimization of large amounts of low-grade coal molding stabilization techniques. C. Choi, G. Han, B. Hong, E. 

Jang, J. Jang 

538. Performance of a new modified cathode material for a molten carbonate fuel cell (MCFC). S. Lim, C. Yi, K. Kim 

539. Efficient synthesis of meso-tetraalkyl porphyrin and their nanoscopic investigation: 2D or 3D self-assemblies. R. 

Plamont, Y. Kikkawa, M. Takahashi, M. Kanesato, M. Giorgi, C. Roussel, T. Balaban 

540. Novel panchromatic chimeric pigments for dye sensitized solar cells. F. Dang, M. Balaban, R. Plamont, T. Balaban 

541. Undecaaryl copper corroles for p-type organic field effect transistors. D. Gao, G. Canard, M. Giorgi, C. Videlot- 

Ackermann, T. Balaban 

542. 3D images and spectra of light/heavy crude oil and asphaltene aggregates: A comparative study. G. Goncalves, J. 

C. Franco, T. D. Atvars, P. T. Rosa, R. A. Nome 

543. Combustion chemistry of next-generation biofuels: Detailed investigation of iso-pentanol flames. A. Lucassen, J. 

Warkentin, N. Hansen, S. Park, M. Sarathy 

544. Application of soft-lithographic patterning to dye-sensitized solar cells. M. Ok, A. Leila, R. Ghosh, M. Brennaman, 

R. Lopez, T. J. Meyer, E. T. Samulski 

545. Cyclic voltammetric characterization of magnesium redox behavior in ionic liquids. T. Watkins, D. A. Buttry 

546. Novel Co3O4 nanorod catalysts for CO2 hydrogenation. C. Wen, J. Lauterbach, J. Hattick-Simpers 

547. Development of magnetic nanomaterials to employ them as contrast agents for the oil and gas industry. G. 

Escalera, S. Lee, C. Avendano, V. L. Colvin 

548. Lithium to oxygen ratio and the effect on conductivity in a non-volatile linear polyethylenimine-based polymer 

electrolyte. M. Macrae, R. P. Doyle, S. Granados-Focil 

549. Design and synthesis of rigid metal-organic frameworks using expanded porphyrin as organic linker and 

4,4'-bipyridine as pillar. B. Pulpoka, S. Laolroekkait, D. Nuntasri 

550. Design, modeling, and synthesis of phthalocyanine based dyes for the production of solar hydrogen. E. Mariño- 

Ochoa, D. D. Méndez-Hernández, M. E. Tejeda-Ferrari, J. J. Berkamp, B. D. Sherman, E. A. Reyes-Cruz, G. Cosa, R. E. 

Palacios, T. A. Moore, A. L. Moore 

551. Hydrogen generation by efficient water splitting over carbon modified (CM)-n-TiO2 under solar simulated light 

illumination. M. Frites, S. U. Khan 

552. Methanolysis products of two lignites analyzed using TOF-MS equipped with direct analysis in real time ion source. 

X. Fan, X. Wei, Y. Wang, S. Wang, A. Zheng, Y. Zhao, Z. Zong, W. Zhao 

553. Facet-dependent catalytic activity of platinum nanocrystals for triiodide reduction in dye-sensitized solar cells. D. 

Wang, B. Zhang, H. Wang, H. Yang, P. Hu 

554. Transition-metal-free reductive cleavage of lignin-related C-O bonds by an activated silane. A. A. Toutov, A. 

40 of 61 1/27/2013 5:06 PM


Fedorov, N. Swisher, R. H. Grubbs 

555. Structural origin: H2O-induced deactivation on metal oxides but promotion on metals for low-temperature CO 

oxidation. H. Wang, R. Kavanagh, Y. Guo, Y. Guo, G. Lu, P. Hu 

556. Adaptive porous materials for gas storage applications. K. Konstas, C. M. Doherty, A. J. Hill, M. R. Hill 

557. Sustainable biodiesel production via continuous reactor design in a fume hood. D. LeCaptain, J. C. Britting 

558. Thermal upgrading of a Venezuelan vacuum residue with hydrogen donor. Q. Wang, S. Zhuang, F. Li, B. Mu, A. Guo, 

Z. Wang 

559. Fast predict of CO initial activation pathway in Fischer-Tropsch process. X. Cao, P. Hu 

560. Effect of Cu loading on the formation of isobutanol from CO/H2 over K-promoted Cu/Zn/Zr/La catalysts. Y. Wu, H. 

Xie, Y. Kou, Y. Han, Y. Tan 

561. Magnetic and electronic properties of doped LiMn1.5Ni0.5O4: A first principles study. Y. Tsai, G. S. Hwang 

562. Process to low cost-high efficiency dye-sensitized solar cell. C. Wu 

563. Estimation of donatable hydrogen content in heavy oils during mild thermal upgrading by 1 H-NMR. H. Liu, K. Chen, 

Z. Wang, A. Guo 

564. Novel cobalt deposition synthesis for water oxidation in artificial photosynthetic systems. J. Del Pilar, P. K. Dutta 

565. Rheological property of heavy crude oil-water emulsions stabilized by comp-type polymer surfactants. M. Wang, J. 

Xu, J. Sun, Y. Shu, C. Zhou, J. Yang, L. Li, X. Guo 

566. Novel hole-conducting coadsorbents for highly efficient dye-sensitized solar cells. I. Choi, S. Song, M. Ju, H. Kim 

567. Comparison of algae culture and cultivation under different lightning systems. P. Zheng, y. cao, W. Pan 

568. Regenerable polyamine bbased solid adsorbents for CO2 capture from the air. H. Zhang, A. Goeppert, M. Czaun, 

R. B. May, G. Prakash, G. A. Olah, S. R. Narayanan 

569. Pyrolysis of biomass in molten salts to produce hydrogen, bio-oil, or bio-char. H. Jiang, Y. Wu, J. Ji 



WEDNESDAY MORNING 


217 


Theoretical, Modelling and Spectroscopic Studies 




Section A 

8:35 570. Characterization of water splitting semiconductors by impedance spectroscopy. J. Bisquert, S. Gimenez, L. 

Bertolucci, L. Badia-Bou 

9:05 571. Consideration on some problems of analysis by electrochemical impedance spectroscopy. M. Adachi, F. 

Uchida 

9:35 572. First-principles insights into the properties of hydrogenated amorphous silicon and interfaces with crystalline 

41 of 61 1/27/2013 5:06 PM


silicon. M. Legesse, M. Nolan, G. Fagas 

9:55 573. Fast transporting ZnO-TiO2 coaxial photoanodes for dye-sensitized solar cells based on ALD-modified SiO2 

aerogel frameworks. V. O. Williams, N. Jeong, C. Prasittichai, O. K. Farha, M. J. Pellin, M. J. Pellin, J. T. Hupp 


10:30 574. Charge transfer in surfaces with doping, impurities, and surface defects. D. Kilin 

11:00 575. Band gap engineering of nickel(II) oxide via degenerate alloying with Li2O for solar energy conversion: A 

theoretical study. N. Alidoust, M. C. Toroker, E. A. Carter 

11:20 576. Optimal device structures for singlet fission solar cells: Insights gained from modeling magnetic field 

effects. E. Hontz, N. Thompson, D. Congreve, M. Balkhe, S. Yost, T. Voorhis, M. Baldo 

11:40 577. Theoretical insights into optoelectronic properties of quantum dots functionalized by Ru(II) complexes. M. 

M. Hedrick, S. V. Kilina 


218 


B. Choi, G. Hwang, Organizers 



8:35 578. New insights into carrier multiplication in semiconductor nanocrystals: Influence of size, shape, and 

composition. V. Klimov 

9:05 579. Nanocrystalline Al-doped Zinc oxides as an electron extraction layer for inverted organic solar cells. M. 

Thambidurai, J. Kim, C. Kang, H. Song, J. Song, C. Lee 

9:35 580. Colloidal quantum dot solids: Models and designs. O. Voznyy 

Section B 

10:05 581. Ultrafast X-ray spectroscopy measurements of photoinduced electron transfer dynamics. W. Zhang, K. 

Gaffney, R. Alonso-Mori, U. Bergmann, M. Chollet, D. Fritz, R. Hartsock, M. Ji, K. Kjær, K. Kubicek, H. Lemke, W. Liang, D. 

Meyer, M. Nielsen, J. Robinson, Z. Sun, D. Sokaras, T. Driel, T. Weng, D. Zhu 


10:40 582. Charge transport in the colloidal quantum dot assemblies for the efficient QD-LED and solar cell. K. Cho, D. 

Chung, T. Kim, J. Ku, B. Choi, S. Hwang 

11:10 583. Solar thermochemical fuel production. W. Lipinski 

11:40 584. Solar syngas production via isothermal nonstoichiometric redox cycling of ceria with heat recovery. R. 

Bader, L. J. Venstrom, R. B. Chandran, J. Lapp, W. Lipinski 

12:00 585. Rare earth/transition metal oxides for syngas cleanup. R. Li, M. D. Krcha, M. J. Janik, A. D. Roy, K. M. 

Dooley 


219 


CO2 Capture Using Sorbents and Membranes 

Section C 

42 of 61 1/27/2013 5:06 PM



J. C. Fisher II, Presiding 


8:35 586. Energy efficient process for CO2 separation from pre-combustion fuel gas using Mg(OH)2 sorbent. R. 

Siriwardane, J. Fisher II, R. Stevens Jr. 

8:55 587. Porous silica-carbon composites functionalized by amino group for CO2 capture. Y. Zhang, J. Tang, B. 

Sunkara, Y. Wang, P. Venkataraman, O. Owoseni, V. T. John 

9:15 588. Cadmium based metal oxide sorbents for pre-combustion CO2 capture. C. Vogt, G. P. Knowles, A. L. Chaffee 

9:35 589. Functionalized porous aromatic frameworks (PAFs) for CO2 capture. S. J. Garibay, M. H. Weston, J. E. 

Mondloch, Y. J. Colón, O. K. Farha, J. T. Hupp, S. T. Nguyen 

9:55 590. Novel Mg-Zr solid sorbents for CO2 capture at low temperature. X. Jiao, L. Li, Y. Li, N. Zhao, F. k. Xiao, W. 

Wei, Y. h. Sun 


10:30 591. High capacity CO2 capture and triggered release in metal organic frameworks. M. R. Hill, K. Konstas, A. J. 

Hill, R. Lyndon, B. P. Ladewig, A. W. Thornton, T. J. Bastow, C. J. Kepert, P. Southon 

10:50 592. Carbon dioxide adsorption in the alkylamine-appended metal-organic framework mmen-Mg2(dobpdc). T. M. 

McDonald, W. R. Lee, J. A. Mason, B. M. Wiers, C. S. Hong, J. R. Long 

11:10 593. Structure-property relationships in polybenzimidazole-based membrane for high temperature H2/CO2 

separation. X. Li, R. P. Singh, K. W. Dudeck, K. A. Berchtold, B. C. Benicewicz 

11:30 594. Progress using aminosilicones for CO2 capture. R. J. Perry, M. J. O'Brien, R. Farnum 


226 

Capacitors and Related Systems for Energy Storage 

D. Meng, L. Hu, Organizers, Presiding 


Section D 

8:05 595. Graphene-nickel cobaltite nanocomposite asymmetrical supercapacitor with commercial level mass loading. 

D. Mitlin, H. Mitlin, C. Holt, X. Tan, Z. Xu, B. Olsen, T. Stephenson 

8:35 596. Hierarchical nickel oxide microflower for high-performance supercapacitors. Z. Wen, J. Chen 

9:05 597. High-field antiferroelectric behavior and minimized energy loss in poly(vinylidene-co-trifluoroethylene)-graftpoly(ethyl 

methacrylate) for energy storage application. Z. Zhang, J. Li 

9:25 598. Ordered mesoporous nickel cobaltite spinel with ultrahigh supercapacitance: Nanomaterials for energy 

storage. Q. Lu, F. Jiao 


10:00 599. Energy retention of electrochemical double-layered capacitors. B. Wei 

10:30 600. New directions in rechargeable lithium-ion batteries: Lessons from in situ electron microscopy. R. 

Shahbazian-Yassar, A. Nie, Q. Gao, H. Ghassemi 

11:00 601. Effects of different oxidants on conductive polymer aluminum solid electrolyte capacitors. M. Kim, Y. 

Hwang, M. Yoo, K. Kim, J. Kim 

Section E 

43 of 61 1/27/2013 5:06 PM



239 


C. Mukarakate, F. Zhao, L. Moens, Organizers 

D. Robichaud, M. Nimlos, Organizers, Presiding 


8:05 602. Catalytic fast pyrolysis for the production of hydrocarbon biofuels. M. R. Nimlos, D. J. Robichaud, C. 

Mukarakate, B. S. Donohoe, K. Iisa 

8:35 603. Hydrodeoxygenation of oleic acid over mesoporous supported metal nitride catalysts. N. Arun, A. K. Dalai 

9:05 604. Pine pyrolysis vapor phase upgrading over ZSM-5 catalyst: Effect of temperature, hot gas filtration, and 

hydrogen donor molecule on the rate of deactivation of catalyst. C. Mukarakate, X. Zhang, M. Nimlos, D. Robichaud, B. 

Donohoe 

9:25 605. Hydrodeoxygenation (HDO) of guaiacol and furfural using a WGS and Mo/Co/K catalyst system. R. T. 

Wijayapala, T. E. Mlsna 


10:00 606. Evaluation of discrete kinetics during pyrolysis of lignocellulosic biomass and its extracted pulp. U. 

Bhardwaj, V. Katiyar 

10:20 607. Deactivation of catalysts during upgrading of pyrolysis vapors. S. Wan, C. Waters, R. Jentoft, S. Crossley, L. 

Lobban, D. Resasco, R. Mallinson 

10:40 608. Pyrolysis kinetics of domestic and non-domestic coal, locally sourced biomass waste, and their blends. A. M. 

Celaya, J. L. Goldfarb 

11:00 609. Microporous and mesoporous catalysts for hydrocarbons from biomass fast pyrolysis. S. Kelkar, C. Saffron 

11:20 610. Fate of catalyst during catalytic pyrolysis of biomass and relevant model compounds. D. Shoucheng, J. 

Valla, G. M. Bollas 


238 


S. Dai, Organizer 

D. Jiang, S. K. Nune, Organizers, Presiding 


8:35 611. New concepts in molecular and energy transport within carbon nanotubes: Thermopower waves and 

stochastically resonant ion channels. M. S. Strano 

Section F 

9:15 612. Enhanced electrical capacitance and energy storage in closely spaced carbon nanotube arrays. P. Bandaru, 

M. Hoefer, R. Narayanan 

9:45 613. Nanocarbon photovoltaics. S. Ren, J. Lohrman, M. Bernardi, J. C. Grossman 

10:05 614. Exohedral supercapacitors with electrodes of carbon nanotubes and onions. G. Feng, J. De-en, S. Li, J. S. 

Atchison, V. Presser, P. T. Cummings 


44 of 61 1/27/2013 5:06 PM


10:40 615. Carbon nanotube material for battery applications. M. W. Schauer, D. S. Lashmore, K. Evanoff, G. Yushin 

11:10 616. New tricks for electrochemical energy storage using polyaniline and other conjugated polymers. J. Jeon, J. 

Mike, L. Shao, P. Balbuena, J. Lutkenhaus 

11:40 617. Redesign of carbon materials for novel storage, mechanical, and optical properties. S. Leoni, I. Baburin, D. 

Selli 

12:00 618. Chemical potential gradients and the theory of excess voltage from thermopower waves. J. T. Abrahamson, 

B. Sempere, M. P. Walsh, J. M. Forman, F. Sen, S. Sen, S. G. Mahajan, G. L. Paulus, Q. Wang, M. S. Strano 


232 

Ultraclean Fuels Production and Utilization 

Z. Liu, Z. Liu, Organizers 

E. B. Fox, Organizer, Presiding 


8:35 619. Long term thermal stability in air of ionic liquid based alternative heat transfer fluids for clean energy 

production. E. B. Fox, S. E. Kendrick, A. E. Visser, N. J. Bridges 

Section G 

8:55 620. Desulfurization of model fuel oil using novel ionic liquids. M. N. Siddiqui, K. R. Alhooshani, M. A. Gondal, B. 

C. Ranu 

9:15 621. On the oxidative desulfurization of fuels catalyzed by iron-ionic tagged bipyridine ligand or task-specific salts 

in imidazolium ionic liquids. J. Dupont 

9:35 622. Toward a polarizable force field for modeling petroleum desulfurization. S. Riahi, A. L. Hickey, C. N. Rowley 

9:55 623. Magnetic nanoparticles surfacely loaded phase transfer catalyst used in catalytic oxidation of 

dibenzothiophene. D. Hu 


10:30 624. Effect of EDTA on the reducibility of CoMo catalyst supported on Al2O3 and SiO2-Al2O3 . K. M. Al-Dalama, 

R. Navvamani 

10:50 625. Direct synthesis of dimethyl ether from syngas over copper catalysts prepared using the sol-gel method. K. 

TAKEISHI 

11:10 626. Converting algal triglycerides to distillate fuels: Converting algal alkanes to diesel and jet fuels. H. J. 

Robota, J. C. Alger 

11:30 627. Adsorptive desulfurization of model fuel oil using novel metal oxides. K. R. Alhooshani, M. N. Siddiqui, T. A. 

Saleh, M. A. Gondal 


220 


Hydrogen Storage 

C. Xie, Y. Chen, Organizers 

D. Tran, J. L. Liu, Organizers, Presiding 

Section H 

45 of 61 1/27/2013 5:06 PM



8:05 628. Understanding decomposition of tetrahydroborate and amide complex chemical hydrides. M. O. Jones, B. I. 

David, J. Makepeace 

8:35 629. Modeling the kinetics of sodium borohydride hydrolysis in concentrated aqueous solutions. M. A. Matthews, 

L. Yu, R. Retnamma, A. Q. Novais, C. M. Rangel 

9:00 630. INS and DFT study of the ammoniation of LiBH4. A. J. Ramirez-Cuesta, W. I. David, D. Royse, E. Callini, A. 

Borgschulte, M. O. Jones 

9:25 631. Search for new hydrogen storage and superconducting materials with evolutionary methods. A. Kolmogorov 

9:50 632. Catalytic activation of hydrides for chemical hydrogen storage. Q. Xu 


10:25 633. Kinetics of mass transport kinetics in complex metal hydrides. V. Ozolins, K. J. Michel, B. Rolih, Y. Chao 

10:55 634. Ultra-low diffusion barriers for AlH3-related defects in γ-NaAlH4. F. Zhang, Y. Wang, M. Chou 

11:20 635. Body centered cubic magnesium niobium hydride with facile room temperature absorption and four weight 

percent reversible capacity. D. Mitlin, X. Tan, L. Wang, C. Holt, B. Zahiri, M. Eikerling 

11:45 636. N-alkylpyrrolidine·alane compounds for energy applications. C. Ni, L. Yang, J. Muckerman, J. Graetz 


231 


C. Wang, Organizer 

S. McIntosh, Organizer, Presiding 


8:05 637. Electrocatalytic oxidation of formate with Rh(III) electrocatalysts and related reactivity for PEM fuel cell 

applications. J. Arnold, D. Kellenberger, E. Deunf, J. B. Kerr 

8:35 638. Regenerative hydrogen-bromine fuel cell for large-scale electrical energy storage. T. V. Nguyen 

Section I 

8:55 639. Synthesis of triazole-bearing polyethylene imine copolymers as water-free proton conducting membranes for 

PEM fuel cells. R. P. Doyle, S. Granados-Focil 

9:15 640. Synthesis of anhydrous proton conducting diblock copolymers for polymer electrolyte membrane fuel cells via 

ATRP and click chemistry. X. Chen, D. Luong, S. Granados-Focil 

9:35 641. Anion-conductive multiblock aromatic copolymer membranes: Structure-property relationships. D. Park, P. A. 

Kohl, H. W. Beckham 


10:10 642. Suppressed methanol-crossover membranes and methanol-tolerant electrocatalysts for direct methanol fuel 

cells. A. Manthiram 

10:40 643. N-Heterocycle-functionalized poly(sulfone)s: Optimized basic polymers for acid-base crosslinked polymer 

electrolyte membranes and their application to the DMFC. C. D. Varnado, X. Zhao, Z. Zuo, Z. Jiang, A. Manthiram, C. W. 

Bielawski 

11:00 644. Synthesis via ROMP of triazole bearing polycyclobutene diblock copolymers as water-free proton conducting 

membranes for PEM fuel cells. J. Wei, W. Trout, S. Granados-Focil 

11:20 645. Roll-to-roll coated highly durable polymer electrolyte membranes for HT-PEMFCs. K. Kim, P. Heo, J. O. Park, 

S. Choi, C. Pak, H. Chang, S. Kim, K. Kim, J. Lee 

46 of 61 1/27/2013 5:06 PM


11:40 646. Cost-effective membrane and electrode in direct borohydride fuel cells. J. Ma, Y. Sahai 

12:00 647. From carbon-based nanotubes to carbon-based nanocages: Toward advanced energy-oriented applications. 

Z. Hu 


235 


Battery Material Characterization 

B. Landi, S. Meng, Organizers 

M. Ganter, Presiding 


Section J 

8:05 648. Compositional tuning of structural stability of lithiated cubic titania nanotubes via vacancy filling mechanism 

under high pressure. H. Xiong, H. Yildirim, V. B. Prakapenka, J. P. Greeley, S. K. Sankaranarayanan, T. Rajh 

8:35 649. In situ X-ray absorption spectroscopy analysis of manganese oxide electrocatalysts in active Li-O2 batteries. 

G. S. Hutchings, F. Jiao 

9:05 650. Scanning near-field IR tomography shows coexistence of phases in LixFePO4 single particles. J. S. Syzdek, I. 

T. Lucas, A. McLeod, D. Basov, R. M. Kostecki 

9:35 651. Elucidating competing transport and kinetic mechanisms for understanding material durability of carbon felt 

electrodes. S. DE, P. W. Northrop, V. R. Subramanian, R. F. Savinell 


10:15 652. Correlating solution structure to electrolyte properties. W. A. Henderson, D. M. Seo, S. Han, J. L. Allen, O. 

Borodin 

10:45 653. Mesoscopic perspective of electrodics for batteries. P. P. Mukherjee 

11:15 654. First principles atomistic modeling of surface and interfacial effects in lithium ion battery materials. M. K. 

Chan 

11:45 655. Understanding the role of excess Li on the atomic structure and capacity of lithium-rich layered oxides. K. 

Jarvis, C. Wang, A. Manthiram, P. FERREIRA 

12:05 656. Cross-linked electrospun poly(ethylene oxide) fiber mats for structured polymer-gel electrolytes. S. J. 

Forbey, R. B. Moore 


240/241 

Section K 


Davis 



8:35 657. Deuterium tracer studies, alkylidene mechanism, and formation of branched hydrocarbons during Fischer- 

Tropsch synthesis. B. Shi, L. Wu, Y. Liao 

9:05 658. Preconditioning of co-containing Fischer-Tropsch catalysts. D. C. Cronauer, J. W. Elam, A. J. Kropf, J. A. 

47 of 61 1/27/2013 5:06 PM


Libera 

9:35 659. Fischer-Tropsch synthesis: Effect of K loading on the water-gas shift reaction during Fischer-Tropsch synthesis 

on Fe based catalysts. W. Ma, G. Jacobs, U. Grahama, D. Dadyburjor, E. Kugler, B. Davis 


10:20 660. Study of Fischer-Tropsch synthesis in a tank reactor at CSTR and batch modes with TiO2 supported cobalt 

catalyst. X. Lu, D. Hildebrandt, D. Glasser 

10:50 661. Studies on SBA-16 and Al-SBA-16 supported cobalt catalyst for Fischer–Tropsch synthesis. J. Li, Y. Zhao, Y. 

Zhang 

11:20 662. Synthesis and characterization of CNHs for hydrotreating of gas oils. E. Aryee, A. K. Dalai, J. Adjaye 

WEDNESDAY AFTERNOON 


217 


Inorganic Complexes for Solar Energy Conversion 




1:25 663. Dye-sensitized solar cells based on titanium phthalocyanines. T. Torres 

Section A 

1:55 664. Molecular catalysts for water oxidation. B. Åkermark, M. D. Kärkäs, E. A. Karlsson, T. Åkermark, B. Lee, E. V. 

Johnston, T. M. Laine, W. Arafa, T. Privalov, M. Abrahamsson 

2:25 665. Mechanistic investigations of cobalt-catalyzed hydrogen evolution. S. C. Marinescu, J. L. Dempsey, H. B. Gray, 

J. R. Winkler 

2:55 666. I-I Bond formation sensitized to visible light with ruthenium polypyridyl compounds. A. Taheri, B. Farnum, 

G. J. Meyer 


3:25 667. Polyoxometalates in solar fuel production. C. L. Hill, J. W. Vickers, E. N. Glass, Y. V. Geletii, J. M. Sumliner, H. 

Lv, T. Lian, A. L. Kaledin, D. G. Musaev 

3:55 668. Artificial hydrogenases: Utilization of peptide and redox non-innocent ligands in [FeFe] and [NiFe] complexes. 

S. Roy, L. Gan, A. Dutta, G. A. Hamilton, T. Groy, H. E. Hartnett, A. K. Jones 

4:25 669. Combination of the photo sensitizer and water reduction catalyst in a single metal complex. N. A. Leed, S. 

Burya, Z. Li, K. R. Dunbar, C. Turro 

4:45 670. Water reduction in Nafion ® membranes with Ru-Rh-Ru mixed-metal complexes. E. M. Naughton, R. B. 

Moore, K. J. Brewer 


218 



Section B 

48 of 61 1/27/2013 5:06 PM




1:35 671. Tailoring the carbon/electrolyte interface to improving the energy density of double layer capacitors. W. Tsai, 

R. Lin, P. Taberna, H. Wang, M. Salanne, B. Rothemberg, C. Merlet, Y. Gogotsi, C. Grey, P. Simon 

2:05 672. Facile synthesis and super capacitive behavior of SWNT/MnO2 hybrid films. B. Wei 

2:35 673. Nanostructured composites for energy storage applications: From batteries to supercapacitors. G. Y. Yushin 

3:05 674. Optical measurements of impurities in room-temperature ionic liquids. J. Porter, C. Dreyer, D. Bicknase 


3:40 675. First-principles design of new electrochemical energy storage devices. A. Van der Ven 

4:10 676. Solvothermal synthesis, growth mechanism, and performance of LiFePO4 nanorods used as a cathode 

material in lithium ion batteries. J. Zhu, J. Fiore, D. Li, Q. Wang, J. Guo, D. Kisailus 

4:40 677. 3D nanostructured conducting polymers for energy storage technologies. G. Yu 

5:10 678. Multiscale multiphysics lithium-ion battery model with multidomain modular framework. G. Kim 


219 


CO2 Utilization and Catalytic Conversion 



Section C 

1:35 679. Coke study on water pretreated Ni/Al2O3 for combined steam and carbon dioxide reforming of methane. I. 

Son, S. Lee 

1:55 680. Highly active and stable Ni-MgO-Ce-ZrO2 catalyst for carbon dioxide reforming of methane. S. Lee, I. Son, W. 

Jang, D. Jeong, J. Shim, H. Roh 

2:15 681. Synthesis and characterization of carbonic anhydrase active-site mimics for CO2 hydration. D. Gupta, C. A. 

Lippert, A. Wishrojwar, J. P. Selegue, J. E. Remias, K. Liu 

2:35 682. Mechanism of homogeneous reduction of CO2 by pyridine: Proton relay in aqueous solvent and aromatic 

stabilization. C. Lim, A. M. Holder, C. B. Musgrave 


3:10 683. Iron/ceria-based carrier materials for chemical looping dry reforming. M. Najera, H. Grace, S. Bhavsar, G. 

Veser 

3:30 684. Wettability alteration of quartz with supercritical CO2. S. Saraji, L. Goual, M. Piri 

3:50 685. Precipitation of magnesite in the water-scCO2 system: Effects of supersaturation, mineral substrate, and 

salinity. F. Wang, D. E. Giammar 

4:10 686. Switchable ethoxylated nonionic to cationic amine surfactants for CO2 EOR in high temperature, high salinity 

reservoirs. Y. Chen, A. S. Elhag, B. M. Poon, L. Cui, K. Ma, S. Y. Liao, P. P. Reddy, A. J. Worthen, G. J. Hirasaki, Q. P. 

Nguyen, K. P. Johnston 


Section D 

49 of 61 1/27/2013 5:06 PM


226 




1:35 687. Rational design of hybrid nanostructured materials for supercapacitors. G. Yu 

2:05 688. High-performance, scalable supercapacitors based on electrophoretic deposition. S. Santhanagopalan, A. 

Balram, D. Meng 

2:35 689. Ultrathin ZrO2 coating on LiMn2O4 nanoparticles for improved high-rate performance at elevated 

temperature. J. Zhao, Y. Wang 


3:20 690. Nano-structured Li-ion battery anode materials via aerosol assisted synthesis. J. Guo, Z. Yang, L. A. Archer, 

Q. Liu, M. R. Zachariah, C. Wang 

3:50 691. Design and preparation of innovative supercapacitors for energy storage systems. I. Nam, S. Park, G. Kim, J. 

Park, N. Kim, I. Song, J. Yi 

4:20 692. Reactive deposition of vanadium oxide within CNT buckypaper in supercritical fluid CO2 for energy storage 

electrodes. Q. H. Do, C. Zeng, C. Zhang, Z. Liang, J. P. Zheng 


239 


C. Mukarakate, F. Zhao, M. Nimlos, Organizers 

D. Robichaud, L. Moens, Organizers, Presiding 


1:05 693. Dynamics of furan pyrolysis in a microtubular reactor. K. N. Urness, M. R. Nimlos, J. W. Daily, A. Golan, M. 

Ahmed, J. F. Stanton, B. Ellison 

1:35 694. Chemical transformation of biomass to platform chemicals: Quantum chemicals studies. R. Surendran 

Assary, L. A. Curtiss 

1:55 695. Gasification of southern forest biomass at the pilot-scale. T. Elder, L. H. Groom 

Section E 

2:15 696. Theoretical study of the thermal decomposition of carboxylic acids at pyrolysis temperatures. J. M. Clark, D. 

J. Robichaud, M. R. Nimlos 

2:35 697. Catalytic conversion wood syngas to "wide cut" diesel over a multifunctional catalyst. Q. Yan, F. Yu 


3:05 698. Characterization of a microtubular reactor for studying biomass pyrolysis. J. W. Daily, G. B. Ellison, Q. Guan, 

K. Urness 

3:35 699. Synthesis of novel paraffinic fuel and valuable oleochemicals from Camelina Sativa oil. M. J. Abedin, R. 

Randy Maglinao, A. Narani 

3:55 700. Gas-phase pyrolysis kinetics of 2-phenoxy-1-phenylethanol, a lignin model compound. S. Sommariva, A. M. 

Dean 

4:15 701. Kinetic study of coal and biomass co-pyrolysis using thermogravimetry. P. Wang, S. W. Hedges, K. 

50 of 61 1/27/2013 5:06 PM


Chaudhari, R. Turton 


238 





Section F 

1:05 702. Integrated computational and experimental studies of carbon electrode-electrolyte interactions in the FIRST 

Energy Frontier Research Center. D. J. Wesolowski 

1:35 703. Selective molecular sieving through atomically thin films. J. S. Bunch 

2:05 704. Relative role of the quantum and double layer capacitance of carbon-based nanomaterials in ionic liquids for 

supercapacitors. A. J. Pak, E. Paek, G. S. Hwang 

2:25 705. Molecular dynamics simulation of binary mixture of ionic liquids near carbon electrode: The capacitive 

performance and temperature effects. S. Li, G. Feng, P. F. Fulvio, P. C. Hillesheim, L. Chen, S. Dai, P. T. Cummings 

2:45 706. Elucidation of hydrogen interaction with carbon nanostructures and the formation of nanocomposites for 

energy storage and conversion devices. J. A. Teprovich, R. Zidan, H. Colon-Mercado, S. Greenway 


3:15 707. Electrolyte-induced precipitation of graphene oxide. H. Wang, Y. Hu 

3:45 708. Metal-assisted hydrogen storage on nanoporous carbons. C. I. Contescu, N. C. Gallego, J. R. Morris 

4:15 709. Computational design of graphene-based nanomaterials toward carbon neutral energy. Z. Chen 

4:45 710. Effective natural gas sweetening through windowed carbon nanotubes. H. Liu, V. Cooper, S. Dai, D. Jiang 


232 


E. B. Fox, Z. Liu, Organizers 

Z. Liu, Organizer, Presiding 


Section G 

1:25 711. Effects of CO/CO2 ratio in synthesis gas on catalytic behaviors in Fischer-Tropsch synthesis using K/Fe-Cu-Al 

catalysts. S. Kang, Y. Lee, K. Jun 

1:55 712. Fischer-Tropsch synthesis: Investigation of the impact of Pt and Ag promoter loading on the local atomic 

structure of Co/alumina catalysts using an in-situ XAS. T. Jermwongratanachai, G. Jacobs, W. Ma, P. Gao, B. Kitiyanan, 

B. H. Davis, D. C. Cronauer, A. J. Kropf, C. L. Marshall 

2:15 713. Fischer Tropsch synthesis in compressed CO2. D. Carron, A. Sims, J. Gautam, M. Soti, D. Perry, K. Mondal, J. 

Benoit 

2:35 714. Montmorillonite activated with potassium hydroxide for Fischer-Tropsch synthesis over cobalt. Y. Zhao, Q. Hao, 

Z. Liu, Z. Liu 

51 of 61 1/27/2013 5:06 PM



3:10 715. Effect of Zr modification to Cu-ZnO-Al2O3/HZSM-5 on catalytic performance for direct synthesis of dimethyl 

ether from biomass-derived syngas. F. Song, Y. Tan, H. Xie, Q. Zhang, Y. Han 

3:40 716. Development of a novel synthetic pathway to produce highly active iron Fischer-Tropsch catalysts. B. F. 

Woodfield, L. Astle, K. Brunner, W. Hecker 

4:00 717. Fischer-Tropsch synthesis: Effect of ammonia impurities in syngas feed over cobalt catalyst. V. Pendyala, M. 

Gnanamani, W. Ma, G. Jacobs, W. D. Shafer, B. H. Davis 

4:20 718. Reactor optimization and scale-up for the sustainable synthesis of hydrocarbons from carbon dioxide: Strides 

towards sea-based fuel production. D. M. Drab, D. R. Hardy, R. Ananth, H. D. Willauer 

4:40 719. Deoxygenation - the key to biomass-to-ultraclean fuels conversion. D. Kubička 


220 


Hydrogen Storage 




1:05 720. Metal-organic frameworks and porous polymer networks for hydrogen storage. H. Zhou 

Section H 

1:35 721. Hydrogen storage in metal-metalloporphyrin frameworks (MMPFs) with high density of open metal sites. S. 

Ma, X. Wang 

2:05 722. Modular design and synthesis of porphyrin based microporous polymer networks for gas storage. J. Zhang, 

Q. Lin 

2:30 723. Hydrogen storage by ball-milled graphite with iron. Y. Zhang, D. Book 


3:05 724. Development of liquid, high capacity hydrogen carriers. C. M. Jensen, M. Chong, D. Brayton, J. Yang, S. 

Orimo 

3:35 725. Synthesis, structure, and property relations of hydrogen clathrate hydrates. G. Grim, Y. Matsumoto, D. Sloan, 

A. K. Sum, C. A. Koh 

4:05 726. New dimensions in hydrogen storage materials. D. H. Gregory 

4:35 727. Hydrogen storage using the formate-bicarbonate cycle (FBC). A. Givant, Y. Sasson 


231 


S. McIntosh, Organizer 

C. Wang, Organizer, Presiding 

1:00 728. Chemical and structural engineering of nanomaterials for energy applications. D. Ha, M. Aksit, R. D. 

Section I 

52 of 61 1/27/2013 5:06 PM


Robinson 

1:30 729. Electrochemical and structural analysis of cathode catalysts and electrodes for fuel cells. P. J. Kenis 

2:00 730. Opportunity for reducing solid oxide fuel cell operating temperatures by nanothin film technologies. P. Su 

2:25 731. In situ XAFS characterization of polymer electrolyte fuel cells under operating conditions. S. Nagamatsu, S. 

Takao, K. Nagasawa, G. Samjeske, T. Arai, M. Yamamoto, H. Oyanagi, O. Sekizawa, T. Uruga, M. Tada, Y. Iwasawa 

2:45 732. Assessing the effects of crowding, pore size, and interactions on electro-osmotic drag coefficients. L. C. 

Jacobson, X. Ren, V. Molinero 


3:15 733. Role of micromorphology and interfacial mismatch in the design of heterogeneous functional materials for fuel 

cell applications. K. Reifsnider, W. Chiu, Q. Liu, F. Rabbi 

3:45 734. GDL modeling and validation for improved PEM fuel cell performance. J. Hinebaugh, J. Lee, J. Yablecki, A. 

Bazylak 

4:15 735. Understanding water uptake and transport in polymer electrolyte membrane of fuel cells using X-ray 

microtomography. G. Hwang, D. Y. Parkinson, A. Kusoglu, A. A. MacDowell, A. Z. Weber 

4:35 736. Performance prediction and optimization of fuel cells using ANFIS model and DE evolution. I. Noshadi, B. 

Kanjilal, P. Babamohammadi, R. Parnas 

4:55 737. Multiscale first-principles modeling of three-phase system of polymer electrolyte membrane fuel cell. G. F. 

Brunello, J. Choi, D. B. Harvey, S. Jang 


235 


Lithium Ion Battery Anodes and Electrolytes 




Section J 

1:05 738. Silicon nanowire core aluminum shell coaxial nanocomposites for lithium ion battery anodes grown with and 

without a TiN interlayer. D. Mitlin, K. Peter, E. Memarzadeh 

1:35 739. Porous structured silicon for lithium-ion battery anode. C. Zhou, M. Ge, J. Rong, X. Fang, A. Zhang 

2:05 740. Pre-lithiation of silicon-carbon nanotube anodes using stabilized lithium metal powder. M. W. Forney, R. A. 

DiLeo, A. Raisanen, M. J. Ganter, J. Staub, R. E. Rogers, B. J. Landi 

2:25 741. Nanodiamond-derived carbon nano-onions as negative electrode materials for lithium-ion batteries. M. K. 

Sreeramoju, J. P. Selegue, Q. Zhang, Y. Cheng 

2:45 742. Lithiation behavior of silicon based alloys and composites: A first principles study. C. Chou, G. S. Hwang 


3:20 743. Next generation polymer nanocomposite electrolytes for lithium ion batteries. H. Ardebili 

3:50 744. Chemically induced stresses in Li ion battery electrodes. B. W. Sheldon, A. Tokranov, A. Mukhopadhyay, A. 

Kessman, D. Liu, P. Lu, X. Xiao 

4:20 745. Yolk-shell design for stabilized and scalable Li-ion battery silicon anodes. N. Liu, H. Wu, M. T. McDowell, C. 

Wang, Y. Cui 

53 of 61 1/27/2013 5:06 PM


4:40 746. Potential induced structural changes and solid electrolyte interphase (SEI) decomposition in Sn anodes for Li 

ion batteries. H. Tavassol, D. G. Cahill, A. A. Gewirth 

5:00 747. Non-flammable electrolytes for high performance lithium-ion batteries. C. Rhodes, M. Mullings, R. Lopez 


240/241 

Section K 


Davis 



1:15 748. Catalytic hydrogen storage in metal-organic frameworks via hydrogen spillover. P. Cheng, Y. Hu 

1:45 749. Kinetics and mechanism of acetic acid ketonization on Ru/TiO2. T. N. Pham, D. Shi, T. Sooknoi, S. Crossley, D. 

E. Resasco 

2:15 750. 3D characterization of Fischer-Tropsch catalysts before and after reduction. S. Dey, J. D. Roehling, J. 

Batenburg, B. H. Davis, I. Arslan 


3:00 751. Higher alcohol synthesis using K-doped CoRhMoS2/MWCNT catalysts: Influence of pelletization, particle size, 

and incorporation of binders. P. E. Boahene, V. R. Surisetty, A. K. Dalai 

3:30 752. Low temperature water-gas shift reactions over alkali-promoted cobalt carbide catalysts. M. Gnanamani, G. 

Jacobs, W. D. Shafer, V. Pendyala, B. H. Davis 

4:00 Concluding Remarks by Burtron H. Davis. 

Biofuels: Current Issues and Environmental Implications 

Biofuels Production, Chemical Composition and Stability 

Sponsored by ENVR, Cosponsored by AGFD, CEI, and ENFL 

WEDNESDAY EVENING 



THURSDAY MORNING 


217 


Photocatalysis and Solar Fuels 



Section A 

54 of 61 1/27/2013 5:06 PM



8:05 753. Chemical and photochemical properties of lanthanum ferrite. M. A. Henderson 

8:35 754. La-doped NaTaO3 particles: Effect of different cocatalysts on photocatalytic hydrogen and oxygen evolution 

activities. I. Ivanova, T. A. Kandiel, R. Dillert, D. W. Bahnemann 

9:05 755. Cobalt tungstate as highly active catalyst for photochemical water oxidation. T. Sekito, H. Jia 

9:25 756. All-inclusive atomic layer deposition approach to solar water splitting. S. C. Riha, B. Klahr, M. J. DeVries- 

Vermeer, M. J. Pellin, J. T. Hupp, T. W. Hamann, A. B. Martinson 


10:00 757. Photocatalytic conversion of CO2 into hydrocarbons over catalyst centers in mesoporous silicas. G. Mul, M. 

S. Hamdy 

10:30 758. High-efficiency, low cost Si solar cells. J. Ramanujam, A. Verma 

11:00 759. Graphitic domain layered TiO2 nanotubes for separation and transportation of photoexcited electrons. D. 

Lee, J. Kang 

11:20 760. Study of the influence of probe molecules on the rate of the photocatalytic h2 production. A. Alkaim, R. 

Dilert, D. Bahnemann 

11:40 761. Coupling water–splitting catalysts to silicon photovoltaics for direct solar–to–fuels conversion. C. R. Cox, M. 

Winkler, T. Buonassisi, D. G. Nocera 



218 





8:05 762. Lignocellulosics and animal waste as a unique biochar product for mercury adsorption from flue gases. K. 

Klasson, L. L. Boihem Jr., M. Uchimiya, I. M. Lima 

Section B 

8:25 763. Gasification kinetics and simulation comparisons of char gasification from coal and biomass mixtures in CO2 

and steam. N. C. Means, N. Weiland, D. VanEssendelft 

8:45 764. Steam reforming of toluene over Ni/La0.7Sr0.3AlO2.85 catalyst: Role of lattice oxygen of support. D. Mukai, 

S. Tochiya, Y. Murai, M. Imori, T. Hashimoto, Y. Sugiura, Y. Sekine 

9:05 765. Near surface decoration of Sr1-xYx TiO3 with transition metals for controlling the SOFC anode reactions: Firstprinciples 

study. H. Ham, H. Kim, D. Lim, C. Yoon, S. Yoon, J. Han, S. Nam 


9:40 766. Solid polymer electrolytes of PEO and a tetrameric Li salt. P. R. Chinnam, J. Schwab 

10:00 767. Self-assembled multi-ionic lithium salts for solid polymer electrolytes. S. L. Wunder, P. R. Chinnam 

10:20 768. Supercritical hydrothermal process derived olivine structure LiMPO4 cathode materials for Li-ion 

rechargeable batteries. C. Back 

10:40 769. Investigating the cation-ordering in 0.5Li2MnO3 . 0.5LiNi0.375Co0.25Mn0.375O2 cathode by magnetic and 

transmission electron microscopy studies. D. Mohanty, A. S. Sefat, J. Li, S. Kalnaus, R. Meisner, D. L. Wood III, C. 

55 of 61 1/27/2013 5:06 PM


Daniel 

11:00 770. Nanostructured layered cathode for Mg-ion batteries. S. Tepavcevic, M. Slater, C. S. Johnson, T. Rajh 



219 


F. Li, Y. Li, Organizers 

J. C. Fisher II, Presiding 


Section C 

8:05 771. Moisture removal for enhanced CO2 separation from post-combustion flue gas. J. Fisher II, R. Siriwardane, 

G. Richards, D. Berry 

8:45 772. Kinetic study of CO2 sorption over molecular basket sorbent. X. Wang, S. Lin, C. Song 

9:25 773. BASF's OASE TM blue: Post-combustion CO2 capture. S. T. Rigby, I. Clausen, G. Sieder 

10:05 774. Novel warm gas CO2 capture technology for IGCC power plants. G. Alptekin, A. Jayaraman, R. Copeland, S. 

Dietz, M. Bonnema, M. Schaefer 


10:35 775. Improving thermal stability in molecular-basket sorbents for separation of CO2 from flue gas. E. Fillerup, D. 

Wang, X. Wang, C. Song 

11:15 776. Preparation and CO2 adsorption properties of soft-templated mesoporous carbons derived from chestnut 

tannin precursors. K. Nelson, S. Dai 

11:35 777. Reactive transport modeling, SEM-BSE and SEM-EDS analyses to evaluate interactions between pozzolanamended 

wellbore cement and CO2-H2S mixtures under geologic carbon sequestration conditions. L. Zhang, D. A. 

Dzombak, D. V. Nakles, S. B. Hawthorne, D. J. Miller, B. G. Kutchko, C. L. Lopano, B. R. Strazisar, L. Li, L. Brunet 

11:55 778. Interaction of CO2 on Mount Simon sandstone under CO2 sequestration conditions. Y. Soong, B. H. 

Howard, S. W. Hedges, I. Haljasmaa, D. McIntyre, R. Warzinski, E. Rosenbaum, G. Irdi, D. Crandall, A. Gonzalez, B. B. 

Bowen, J. Rupp 



226 




8:05 779. Nanoporous carbon materials for electrical double layer capacitors. G. Yushin 

8:35 780. Conductive paper based energy devices for grid-scale storage. L. Hu 

Section D 

9:05 781. Pretreatment effects for early transition-metal carbide and nitride supercapacitor materials: Applications in 

energy-storage systems. A. Djire, P. Pande, A. Deb, A. A. Sleightholme, P. Rasmussen, J. Penner-hahn, L. T. Thompson 

56 of 61 1/27/2013 5:06 PM



9:40 782. Nanoporous materials for improved performance in electrochemical pseudocapacitors and batteries. I. Rauda, 

V. Augustyn, C. Kang, X. Chen, R. Buonsanti, D. Milliron, G. Rubloff, B. Dunn, S. H. Tolbert 

10:10 783. High energy density silicon anodes for lithium-ion batteries: Combining hollow nanospheres with conductive 

polymer binder. Y. Yao, Y. Liang, Y. Li 

10:40 784. Engineering nanostructured electrodes of polyaniline nanofibers and multiwalled carbon nanotubes. M. 

Hyder, Y. Shao-Horn, P. T. Hammond 

11:00 785. Conductive metal phthalocyanine polymers for supercapacitor applications. K. Klunder, T. F. Guarr 



239 


C. Mukarakate, D. Robichaud, F. Zhao, Organizers 

M. Nimlos, L. Moens, Organizers, Presiding 


Section E 

8:05 786. Prediction of the thermodynamic properties of key products and intermediates from biomass. M. Vasiliu, A. J. 

Jones, K. Guynn, D. A. Dixon 

8:35 787. Treatment of benzidine-congener-derived dyes for bioenergy production. V. Gadhamshetty, W. Willner, A. 

M. Hynes, E. Tentori, M. Nyman 

8:55 788. Effect of nitrogen ferlilizer on biofuel crop biochemistry and soil carbon sequestration. X. Gao, C. Masiello, M. 

Gallagher, W. Hockaday, Z. Valdez 

9:15 789. Bioavailability of heavy metals in biochar derived from sewage sludge. h. yuan, t. lu, h. huang, d. zhao, y. 

chen 

9:35 790. Total acid value titration of hydrotreated biomass fast pyrolysis oil: Determination of carboxylic acids and 

phenolics with multiple end point detection. E. Christensen, T. Alleman, R. McCormick 


10:10 791. Kinetics and mechanism of the thermal decomposition of isobutanol in a heated single pulse shock tube. C. 

M. Rosado-Reyes, W. Tsang 

10:30 792. Multivariate analysis of biomass pyrolysis vapor mass spectra using Pyrolysis Molecular Beam Mass 

Spectrometry - PCA, PLS, MCR. L. Xiao, R. Sykes, D. Carpenter, M. Davis, S. Park, H. Jameel, S. S. Kelley 

10:50 793. Stack of Shewanella-based microbial fuel cells to obtain 1.1 V DC power source. V. Gadhamshetty, R. P. 

Ramasamy, G. R. Johnson 

11:10 794. Upgrading bio-oil with a combination of synthesis gas and alcohol. T. Mlsna, B. Kunwar 

11:30 795. Liquefaction of organosolv lignin in different solvents: Characterization of the liquid products. M. Li, S. Sun, 

F. Xu, R. Sun 



238 

Section F 

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S. Dai, Organizer 

D. Jiang, S. K. Nune, Organizers, Presiding 


8:35 796. Biological and bio-templating approaches for large-scale synthesis of inorganic nanomaterials. V. Bansal 

9:05 797. Study of carbon-hydrogen bond on the microstructure of ball-milled graphite. Y. Zhang, D. Book 

9:25 798. Record specific capacitance in activated carbon developed from waste palm kernel shells. N. K. Mohd Zain, I. 

I. Misnon, R. A. Aziz, R. Jose 


10:00 799. Evolution of electrochemical properties during fabrication of flexible supercapacitor yarns. J. Smithyman, R. 

Liang 

10:20 800. Quino(triazene)s: A new class of organic cathode materials for the lithium ion battery. C. D. Varnado, Y. Fu, 

J. Moerdyk, A. Manthiram, C. W. Bielawski 

10:40 801. Autonomous creation of core-shell chromium-carbon nanomaterials from industrial bio-waste for catalytic 

applications. A. Meiyazhagan, N. T. Narayanan, B. K. Gupta, A. L. Reddy, B. Chandrasekaran, D. Rawat, S. Talapatra, P. 

M. Ajayan, P. Thanikaivelan 



232 


E. B. Fox, Z. Liu, Organizers 

Z. Liu, Organizer, Presiding 


Section G 

8:35 802. Efficient methanation of syngas at low temperature in slurry reactor over Zr doped Ni/Al2O3. J. Zhang, Y. Bai, 

X. Wang, T. Zhang, Y. Tan, Y. Han 

9:05 803. Effects of solid acid catalyst on hydrolysis of lignin model compound. S. Kang, J. Ye, J. Chang 

9:25 804. Hydrodenitrogenation of carbazole over dispersed Mo sulfide catalyst using in situ H2. K. Liu, L. Jia, F. T. Ng 

9:45 805. Effect of preparation methods on ZnCr based catalyst for isobutanol synthesis from syngas. K. Yongli, X. 

Hongjuan, W. Yingquan, H. Yizhuo, T. Yisheng 


10:25 806. Selective hydrogenation of citral over Pt/MWCNTs catalysts. P. Qu, J. Chen, Z. Liu, Z. Hao, Z. Liu 



220 


Section H 

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8:05 807. Moving hydrogen using iron catalysts. R. H. Morris, R. H. Morris 

8:35 808. Electrochemical reduction of carbon dioxide for the synthesis of syngas. P. J. Kenis 

9:05 809. Desulfurization of JP-8 fuel using Ag/silica based adsorbents at room temperature. D. T. Tran, D. Chu 

9:25 810. Sulfur group type response to an oxidative desulfurization treatment. M. T. Timko, E. Schmois, P. 

Patwardhan, Y. Kida, C. Class, W. H. Green, R. K. Nelson, C. M. Reddy 

9:45 811. Titanium hydrazide gels for Kubas type hydrogen storage: Synthesis and computational efforts to rationalize 

rising enthalpies and linear isotherms. D. M. Antonelli, T. A. Hoang, C. Skipper, N. Kaltsoyannis 


10:25 812. First principles modeling of hydrogen permeation through intermetallic alloys, amorphous metals, and 

proton conducting perovskites. D. S. Sholl, S. Kang, R. Zhu, N. Chandrasekhar 

10:55 813. Transition between bonding states of hydrogen in hydrides. S. ORIMO 

11:25 814. Theoretical investigations on C2H4Nb complex as a potential hydrogen storage system, using Density 

Functional Theory. A. H. Pandith, S. Niaz, T. Manzoor, N. Islam 

11:45 815. First-principles studies on hydride-assisted hydrogenation of Ti-doped NaH/Al to form NaAlH4. J. Liu, Q. Ge 

12:05 816. H2-D2 exchange catalysis and sulfur tolerance of CuxPd1-x alloy membrane surfaces. A. J. Gellman, J. B. 

Miller, P. Kondratyuk, G. Gumuslu 



231 


C. Wang, Organizer 

S. McIntosh, Organizer, Presiding 


8:05 817. Oxygen bubble nucleation in solid oxide electrolysis cells. O. Comets, P. W. Voorhees 

8:35 818. Model development for the investigation of the phosphoric acid composition in HT-PEFCs by means of 

synchrotron X-ray radiography. W. Maier, T. Arlt, C. Wannek, K. Wippermann, I. Manke, W. Lehnert 

9:05 819. Optiimisation and evaluation of perovskite anode supported SOFCs. J. T. Irvine, M. C. Verbraeken, M. 

Cassidy, C. D. Savaniu, L. Lu, A. Alaberi 

Section I 

9:35 820. Performance improvement and structural characterization of LSCF perovskite cathodic catalyst for solid oxide 

fuel cells. J. Liu, S. Bashir 

9:55 821. Development of an impedance-based sensor for detection of coke formation in solid oxide fuel cells. J. L. 

Wheeler, N. P. Sullivan, J. M. Porter 


10:25 822. Behavior of Pt and Pt3Co nanoparticles in PEM fuel cells observed by high-resolution TEM, aberrationcorrected 

STEM, and in-situ TEM. D. Groom, K. Yu, S. Rasouli, D. Myers, M. Gummalla, S. Ball, P. FERREIRA 

59 of 61 1/27/2013 5:06 PM


10:45 823. Microstructure-induced transport in energy materials. A. Nakajo, W. M. Harris, A. M. Kiss, A. P. Cocco, B. N. 

Cassenti, A. A. Peracchio, W. K. Chiu 

11:15 824. Nanoengineered model systems for solid oxide fuel cells. W. Shen, J. Jiang, J. Hertz 

11:45 825. High temperature, in situ X-ray absorption spectroscopy study of the redox chemistry of Sr2MgMoO6 solid 

oxide fuel cell anode material. B. C. Eigenbrodt, A. M. Young, T. G. Howell, C. U. Segre, R. L. Thomas 

12:05 826. Fundamental insights on the electrochemical water splitting using solid oxide electrolyzers. N. Mosavati, E. 

Nikolla 



235 


Novel Rechargeable Chemistries 




Section J 

8:05 827. Conversion reactions for lithium ion batteriy cathodes. F. Wang, Y. Zhu, H. Yu, A. Van der Ven, K. Thornton, N. 

Pereira, G. G. Amatucci, J. Graetz 

8:35 828. Anode and electyrolyte chemistries for Mg-based secondary batteries. T. Watkins, D. A. Buttry 

9:05 829. Low temperature synthesis of the high-voltage spinel Li1+xNi0.5Mn1.5O4–δ (x = 0.02, δ = 0.12) and their 

potential as Li-ion battery cathodes. X. Hao, B. Bartlett 

9:35 830. Nanoscopic dimensional control of iron and manganese based materials for primary and secondary batteries. 

K. J. Takeuchi, A. C. Marschilok, E. S. Takeuchi 

9:55 831. Structural and chemical insights into conversion reactions from in-situ pair distribution function 

measurements. K. W. Chapman, P. J. Chupas, O. J. Borkiewicz, K. M. Wiaderek, C. P. Grey, N. Pereira, G. Amatucci 


10:25 832. Metal-carbon dioxide batteries. L. Archer 

10:55 833. Hybrid Li-air batteries. Y. Xing 

11:25 834. Redox flow battery development for stationary energy storage. V. Sprenkle 

11:45 835. Surface electrochemistry and charge transport in non-aqueous Li-air batteries. V. Viswanathan, A. Luntz, 

J. Norskov 

12:05 836. Fundamental chemistry of lithium/sulfur battery and approaches to performance improvement. S. S. Zhang 



Vehicle Emissions and Environmental Impacts 


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