Vibronic couplings in C60 derivatives for organic photovoltaics

被引：2
|
作者：
Iwahara, Naoya [1 ]
Sato, Tohru [1 ,2 ]
Tanaka, Kazuyoshi [1 ]
Kaji, Hironori [3 ]
机构：
[1] Kyoto Univ, Grad Sch Engn, Dept Mol Engn, Nishikyo Ku, Kyoto 6158510, Japan
[2] Kyoto Univ, Unit Elements Strategy Initiat Catalysts & Batter, Nishikyo Ku, Kyoto 6158510, Japan
[3] Kyoto Univ, Inst Chem Res, Kyoto 6110011, Japan
来源：
CHEMICAL PHYSICS LETTERS | 2013年 / 590卷
关键词：
ELECTRON-TRANSFER; DENSITY ANALYSIS; CELLS;
D O I：
10.1016/j.cplett.2013.10.083
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：
Vibronic coupling constants (VCCs) and reorganisation energies of C-60 derivative anions including [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM) are evaluated. The results are analysed in terms of the vibronic coupling density. As long as the electronic state is conserved, the VCCs are similar to those in C-60(-). The VCCs are large when (1) the distribution of LUMO is large around the substituent or (2) the structure of the orbital is significantly changed by the symmetry lowering, which would be unsuitable for an organic photovoltaic material from the viewpoint of vibronic couplings. (C) 2013 Elsevier B. V. All rights reserved.
引用
收藏
页码：169 / 174
页数：6
相关论文
共 50 条
  • [31] Synthesis and characterization of nitrophenyl C60 derivatives
    王乃兴
    李纪生
    Chinese Science Bulletin, 1995, (24) : 2035 - 2038
  • [32] On the detections of C60 and derivatives in circumstellar environments
    Yong Zhang
    Sun Kwok
    Earth, Planets and Space, 2013, 65 : 1069 - 1081
  • [33] ESR STUDIES OF PARAMAGNETIC DERIVATIVES OF C60
    KRUSIC, PJ
    WASSERMAN, E
    MORTON, JR
    PRESTON, KF
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 205 : 231 - PHYS
  • [34] SPECTROSCOPY OF C60 DERIVATIVES AND THEIR POLYMER COMPOSITES
    HUMMELEN, JC
    SRDANOV, V
    WUDL, F
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 210 : 250 - PMSE
  • [35] Regioselectivity in radical reactions of C60 derivatives
    de La Vaissière, B
    Sandall, JPB
    Fowler, PW
    de Oliveira, P
    Bensasson, RV
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 2001, (05): : 821 - 823
  • [36] Organic depth profiling of C60 and C60/phthalocyanine layers using argon clusters
    Mouhib, T.
    Poleunis, C.
    Moellers, R.
    Niehuis, E.
    Defrance, P.
    Bertrand, P.
    Delcorte, A.
    SURFACE AND INTERFACE ANALYSIS, 2013, 45 (01) : 163 - 166
  • [37] Materials chemistry of fullerene C60 derivatives
    Lopez, Alejandro Montellano
    Mateo-Alonso, Aurelio
    Prato, Maurizio
    JOURNAL OF MATERIALS CHEMISTRY, 2011, 21 (05) : 1305 - 1318
  • [38] On the detections of C60 and derivatives in circumstellar environments
    Zhang, Yong
    Kwok, Sun
    EARTH PLANETS AND SPACE, 2013, 65 (10): : 1069 - 1081
  • [39] Nonlinear optical properties of C60 derivatives
    Wang, P.
    Zhang, W.J.
    Cheng, P.
    Ge, C.W.
    Nie, J.S.
    Tang, X.J.
    Yang, Y.
    Wei, X.W.
    Xu, Z.
    Guangxue Xuebao/Acta Optica Sinica, 2001, 21 (02): : 222 - 224
  • [40] Study of cytotoxicity of fullerene C60 derivatives
    A. G. Bobylev
    A. D. Okuneva
    L. G. Bobyleva
    I. S. Fadeeva
    R. S. Fadeev
    N. N. Salmov
    Z. A. Podlubnaya
    Biophysics, 2012, 57 (5) : 572 - 576
12345