Energetic Disorder in Higher Fullerene Adducts: A Quantum Chemical and Voltammetric Study

Predicting Energetic Disorder: A quantum chemical method is used to calculate the LUMO energies of all possible isomers of the bis and tris adducts of the fullerene, [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM). The calculated energy level distributions agree well with the observed mean and spr...

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Veröffentlicht in:	Advanced materials (Weinheim) 2010-11, Vol.22 (43), p.4881-4884
Hauptverfasser:	Frost, Jarvist Moore, Faist, Mark Anton, Nelson, Jenny
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Simulation Conductometry - methods Electronic Structure Energy Transfer Fullerenes Fullerenes - chemistry Materials Testing Models, Chemical Models, Molecular Organic Electronics Photovoltaic Devices Quantum Theory Solar Cells
Online-Zugang:	Volltext
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