- Page 1 and 2: Università degli Studi di Cagliari
- Page 4: A C K N O W L E D G M E N T SI woul
- Page 7 and 8: example of a novel class of systems
- Page 12 and 13: L I S T O F F I G U R E SFigure 1.1
- Page 14 and 15: List of FiguresxiiiFigure 2.15 Init
- Page 16 and 17: List of FiguresxvFigure 4.6Figure 4
- Page 18: Figure 5.7Figure 5.8Figure A.1Figur
- Page 21 and 22: 2 introduction1-3 eV) and the trans
- Page 23 and 24: 4 introductionorder in such a compl
- Page 25 and 26: 6 introductionprocesses that need t
- Page 27 and 28: 8 introduction1.2 physical factors
- Page 29 and 30: 10 introductionrecovered by the int
- Page 31 and 32: 12 introductionA cheap and environm
- Page 33 and 34: 14 introductiondensed phases [63, 7
- Page 36 and 37: P 3 H T - P O LY ( 3 - H E X Y LT H
- Page 38 and 39: 2.1 mechanism of assembling and mor
- Page 40 and 41: 2.2 p3ht assembling and intermolecu
- Page 42 and 43: 2.3 p3ht crystalline bulk phases 23
- Page 44 and 45: 2.5 nanocrystalline p3ht 25Figure 2
- Page 46 and 47: 2.5 nanocrystalline p3ht 27Table 2.
- Page 48 and 49: 2.6 conclusions 29Figure 2.13.: Ini
- Page 50 and 51: 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
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3.6 p3ht/zno interface: high deposi
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3.6 p3ht/zno interface: high deposi
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3.7 effective model for the transpo
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3.8 conclusions 47As for the low te
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T E R N A RY Z N O / Z N P C / P 3
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4.1 self assembling of znpcs on zno
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4.2 polymer interaction with znpcs
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4.3 electronic and optical properti
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4.3 electronic and optical properti
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4.4 conclusions 59ties. The absorpt
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I N T E R A C T I O N B E T W E E N
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5.2 solvent thf interaction with zn
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5.2 solvent thf interaction with zn
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5.2 solvent thf interaction with zn
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5.3 conclusions 69γ L/L ∼ 0.112
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C O N C L U S I O N SIn this thesis
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M O L E C U L A R D Y N A M I C SAa
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A.1 molecular dynamics 75a.1.2The t
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A.2 the force field 77Finally, τ t
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A.2 the force field 79Waals interac
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A.3 methods 81tional Theory (DFT) l
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B I B L I O G R A P H Y[1] http://w
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ibliography 85[17] J. D. Servaites,
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ibliography 87Zakeeruddin, and M. G
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ibliography 89Phys. Chem. Chem. Phy
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ibliography 91[65] D. J. Binks and
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ibliography 93cells,” Energy Envi
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ibliography 95[97] C. Ingrosso, A.
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ibliography 97298.15 k,” Journal
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ibliography 99charges. am1-bcc mode
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colophonThis document was typeset u