Photo-induced charge transfer in fullerene-oligothiophene dyads - A quantum-chemical study

被引：22
作者：
Beenken, Wichard J. D. [1 ]
机构：
[1] Tech Univ Ilmenau, Dept Theoret Phys 1, D-98693 Ilmenau, Germany
来源：
CHEMICAL PHYSICS | 2009年 / 357卷 / 1-3期
关键词：
Fullerene; Thiophene; C60; C62S; ZINDO; DFT; TD-DFT; B3-LYP; TPSS-HH; Charge difference density; ELECTRON-TRANSFER; POLYMER; ENERGY; SEPARATION; STATES; METAL;
D O I：
10.1016/j.chemphys.2008.12.002
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The excited states of fullerene-oligothiophene dyads were studied by quantum-chemical methods in respect of their theoretical suitability as solar-cell materials. Compared to the constituents a significant extension of the absorption spectra to the red has been found caused by optically excitable charge transfer states. These states seem to be responsible for the low energy conversion efficiency of fullerene-oligothiophene dyads in photovoltaic devices. (c) 2008 Elsevier B.V. All rights reserved.
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收藏
页码：144 / 150
页数：7
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