Surface charge-transfer states in C60 fullerene -: microelectrostatic calculations

被引：5
|
作者：
Eilmes, A [1 ]
机构：
[1] Jagiellonian Univ, Dept Computat Methods Chem, PL-30060 Krakow, Poland
来源：
CHEMICAL PHYSICS LETTERS | 2000年 / 326卷 / 5-6期
关键词：
D O I：
10.1016/S0009-2614(00)00843-5
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：
Self-consistent polarization field (SCPF) calculations are performed to obtain the polarization energies for the surface charge-transfer (CT) states in C-60 fullerene microcrystals. The average polarization energy for the lowest CT state and its change with the microcrystal size is calculated. Relevance of the results to the observed absorption spectra of the fullerene film and microcrystals [J. Phys.: Condens. Matter 10 (1998) 2347] is discussed. (C) 2000 Published by Elsevier Science B.V.
引用
收藏
页码：580 / 584
页数：5
相关论文
共 50 条
  • [41] Hot Charge-Transfer States Determine Exciton Dissociation in the DTDCTB/C60 Complex for Organic Solar Cells: A Theoretical Insight
    Shen, Xingxing
    Han, Guangchao
    Fan, Di
    Xie, Yujun
    Yi, Yuanping
    JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (21): : 11320 - 11326
  • [42] Ionization and fragmentation of C60 in charge-transfer collisions of 2-MeV lithium ions
    Itoh, A
    Tsuchida, H
    Majima, T
    Imanishi, N
    PHYSICAL REVIEW A, 1999, 59 (06): : 4428 - 4437
  • [43] PREPARATION AND SPECTRAL PROPERTIES OF (BEDT-TTF)(2)C60 CHARGE-TRANSFER COMPLEX
    LAUKHINA, EE
    MAJCHRZAK, I
    CIESIELSKI, W
    GRAJA, A
    POLISH JOURNAL OF CHEMISTRY, 1993, 67 (12) : 2251 - 2255
  • [44] Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin/C60 dyads
    Olguin, Marco
    Zope, Rajendra R.
    Baruah, Tunna
    JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (07):
  • [45] Correlation between charge-transfer and rotation of C60 on WO2/W(110)
    Bozhko, Sergey I.
    Krasnikov, Sergey A.
    Luebben, Olaf
    Murphy, Barry E.
    Radican, Kevin
    Semenov, Valery N.
    Wu, Han-Chun
    Levchenko, Egor A.
    Chaika, Alexander N.
    Sergeeva, Natalia N.
    Shvets, Igor V.
    NANOSCALE, 2013, 5 (08) : 3380 - 3386
  • [46] On C60 fullerene photopolymerization
    Cataldo, F
    POLYMER INTERNATIONAL, 1999, 48 (02) : 143 - 149
  • [47] Reactivity of fullerene C60
    Shestakov, A. F.
    RUSSIAN JOURNAL OF GENERAL CHEMISTRY, 2008, 78 (04) : 811 - 821
  • [48] Hydrosilylation of fullerene C60
    Bespalova, NB
    Bovina, MA
    Rebrov, AI
    Khodzhaeva, VL
    Semenov, OB
    RUSSIAN CHEMICAL BULLETIN, 1997, 46 (09) : 1620 - 1621
  • [49] EMBEDDING IN FULLERENE C60
    LIU, J
    CHEMICAL PHYSICS LETTERS, 1995, 232 (1-2) : 27 - 30
  • [50] Cathodoluminescence of fullerene C60
    Rowlands, AP
    Karali, T
    Terrones, M
    Grobert, N
    Townsend, PD
    Kordatos, K
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (36) : 7869 - 7878
12345