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.
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收藏
页码：580 / 584
页数：5
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