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ibliography 87Zakeeruddin, and M. Grätzel, “Porphyrin-sensitizedsolar cells with cobalt (ii/iii)–based redox electrolyteexceed 12 percent efficiency,” Science, vol. 334, p. 629,2011. (Cited on page 7.)[35] M. G. Waltera, A. B. Rudineb, and C. C. Wamserb,“Porphyrins and phthalocyanines in solar photovoltaiccells,” J. Porphyrins Phthalocyanines, 2010.(Cited on page 7.)[36] T. C. Li, M. S. Góes, F. Fabregat-Santiago, J. Bisquert,P. R. Bueno, C. Prasittichai, J. T. Hupp, and T. J.Marks, “Surface passivation of nanoporous tio2 viaatomic layer deposition of zro2 for solid-state dyesensitizedsolar cell applications,” J. Phys. Chem. C,vol. 113, pp. 18385–18390, 2009. (Cited on page 7.)[37] J. W. Hsu and M. T. Lloyd, “Organic/inorganic hybridsfor solar energy generation,” MRS Bulletin,vol. 35, pp. 422–428. (Cited on page 8.)[38] F. C. Spano, “Modeling disorder in polymer aggregates:The optical spectroscopy of regioregularpoly(3-hexylthiophene) thin films,” The Journal ofChemical Physics, vol. 122, no. 23, p. 234701, 2005.(Cited on page 8.)[39] J. Veres, S. Ogier, G. Lloyd, and D. de Leeuw, “Gateinsulators in organic field-effect transistors,” Chemistryof Materials, vol. 16, no. 23, pp. 4543–4555, 2004.(Cited on page 8.)[40] R. Kline, M. McGehee, and M. Toney, “Highly orientedcrystals at the binterface in polythiophene thinfilmtransistors,” Nat. Mater, vol. 5, pp. 222–228, 2006.(Cited on page 8.)[41] P. Reiss, E. Couderc, J. De Girolamo, and A. Pron,“Conjugated polymers/semiconductor nanocrystalshybrid materials-preparation, electrical transportproperties and applications,” Nanoscale, vol. 3,pp. 446–489, 2011. (Cited on page 9.)[42] C. Melis, A. Mattoni, and L. Colombo, “Atomisticinvestigation of poly(3-hexylthiophene) adhesion on
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Università degli Studi di Cagliari
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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
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3.3 adhesion of a single p3ht molec
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3.4 p3ht/zno interface 35surface (t
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Page 66 and 67: 3.8 conclusions 47As for the low te
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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 102 and 103: B I B L I O G R A P H Y[1] http://w
Page 104 and 105: ibliography 85[17] J. D. Servaites,
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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