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B I B L I O G R A P H Y[1] http://www.orgworld.de/. (Cited on pages ix and 5.)[2] M. T. Lloyd, R. P. Prasankumar, M. B. Sinclair, A. C.Mayer, D. C. Olson, and J. W. P. Hsu, “Impact ofinterfacial polymer morphology on photoexcitationdynamics and device performance in p3ht/zno heterojunctions,”J. Mater. Chem., vol. 19, pp. 4609–4614,2009. (Cited on pages ix, 8, 9, and 10.)[3] C. Melis, L. Colombo, and A. Mattoni, “Selfassemblingof poly(3-hexylthiophene),” The Journalof Physical Chemistry C, vol. 115, no. 2, pp. 576–581,2011. (Cited on pages ix, x, 17, 18, 19, 20, 21, 22, 23,25, 35, 36, 54, and 65.)[4] G. Mattioli, C. Melis, G. Malloci, F. Filippone,P. Alippi, P. Giannozzi, A. Mattoni, andA. Amore Bonapasta, “Zinc oxide-zinc phthalocyanineinterface for hybrid solar cells,” J. Phys. Chem.C, vol. 116, no. 29, pp. 15439–15448, 2012. (Cited onpages xii, 51, 55, and 59.)[5] C. Melis, P. Raiteri, L. Colombo, and A. Mattoni,“Self-assembling of zinc phthalocyanines on zno(10¯10) surface through multiple time scales,” ACSNano, vol. 5, no. 12, pp. 9639–9647, 2011. (Cited onpages xii, 49, 51, and 52.)[6] G. Mattioli, M. I. Saba, P. Alippi, F. Filippone, P. Giannozzi,G. Malloci, C. Melis, A. A. Bonapasta,and A. Mattoni, “Double-interface architecture forpanchromatic hybrid photovoltaics,” Submitted forpublication, 2013. (Cited on pages xiii, xiv, 55, 56, 58,and 60.)[7] C. H. Reinsch, “Smoothing by spline functions,”Num. Math., vol. 10, pp. 177–183, 1967. (Cited onpages xiv and 60.)83
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Università degli Studi di Cagliari
Page 4:
A C K N O W L E D G M E N T SI woul
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example of a novel class of systems
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C O N T E N T S1 introduction 11.1
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L I S T O F F I G U R E SFigure 1.1
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List of FiguresxiiiFigure 2.15 Init
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List of FiguresxvFigure 4.6Figure 4
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Figure 5.7Figure 5.8Figure A.1Figur
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2 introduction1-3 eV) and the trans
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4 introductionorder in such a compl
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6 introductionprocesses that need t
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8 introduction1.2 physical factors
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10 introductionrecovered by the int
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12 introductionA cheap and environm
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14 introductiondensed phases [63, 7
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P 3 H T - P O LY ( 3 - H E X Y LT H
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2.1 mechanism of assembling and mor
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2.2 p3ht assembling and intermolecu
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2.3 p3ht crystalline bulk phases 23
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2.5 nanocrystalline p3ht 25Figure 2
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2.5 nanocrystalline p3ht 27Table 2.
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2.6 conclusions 29Figure 2.13.: Ini
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P O LY M E R / S E M I C O N D U C
Page 52 and 53: 3.3 adhesion of a single p3ht molec
Page 54 and 55: 3.4 p3ht/zno interface 35surface (t
Page 56 and 57: 3.5 p3ht/zno interface: low deposit
Page 58 and 59: 3.6 p3ht/zno interface: high deposi
Page 64 and 65: 3.7 effective model for the transpo
Page 66 and 67: 3.8 conclusions 47As for the low te
Page 68 and 69: T E R N A RY Z N O / Z N P C / P 3
Page 70 and 71: 4.1 self assembling of znpcs on zno
Page 72 and 73: 4.2 polymer interaction with znpcs
Page 74 and 75: 4.3 electronic and optical properti
Page 76 and 77: 4.3 electronic and optical properti
Page 78 and 79: 4.4 conclusions 59ties. The absorpt
Page 80 and 81: I N T E R A C T I O N B E T W E E N
Page 82 and 83: 5.2 solvent thf interaction with zn
Page 88 and 89: 5.3 conclusions 69γ L/L ∼ 0.112
Page 90 and 91: C O N C L U S I O N SIn this thesis
Page 92 and 93: M O L E C U L A R D Y N A M I C SAa
Page 94 and 95: A.1 molecular dynamics 75a.1.2The t
Page 96 and 97: A.2 the force field 77Finally, τ t
Page 98 and 99: A.2 the force field 79Waals interac
Page 100 and 101: A.3 methods 81tional Theory (DFT) l
Page 104 and 105: ibliography 85[17] J. D. Servaites,
Page 106 and 107: ibliography 87Zakeeruddin, and M. G
Page 108 and 109: ibliography 89Phys. Chem. Chem. Phy
Page 110 and 111: ibliography 91[65] D. J. Binks and
Page 112 and 113: ibliography 93cells,” Energy Envi
Page 114 and 115: ibliography 95[97] C. Ingrosso, A.
Page 116 and 117: ibliography 97298.15 k,” Journal
Page 118 and 119: ibliography 99charges. am1-bcc mode
Page 120: colophonThis document was typeset u
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