Charge transport and radiative recombination in polythiophene crystals: a first-principles study

被引：5
|
作者：
Ruini, A [1 ]
Bussi, G
Ferretti, A
Caldas, MJ
Molinari, E
机构：
[1] INFM, Natl Ctr NanoStruct & BioSyst Surfaces S3, Modena, Italy
[2] Univ Modena, Dipartimento Fis, I-41100 Modena, Italy
[3] Univ Sao Paulo, Inst Fis, BR-01498 Sao Paulo, Brazil
来源：
SYNTHETIC METALS | 2003年 / 139卷 / 03期
关键词：
density-functional theory; optical absorption; charge transport; polythiophene;
D O I：
10.1016/S0379-6779(03)00319-9
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We investigate two phases of polythiophene crystals by means of first-principles calculations, focusing on the effect of the different structure on charge transport parameters and luminescence quantum yield. The resulting microscopic interpretation highlights the impact of solid-state interchain coupling on both transport and emissive properties of semiconducting polymer crystals. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码：755 / 757
页数：3
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