Morphological Stability of Organic Photovoltaics: Coarse-grained Molecular Dynamics Simulation Studies

被引：0

作者：

Na, Jihye ^{[1
]}

Chang, Rakwoo ^{[2
]}

机构：

[1] Kwangwoon Univ, Dept Chem, Seoul 01897, South Korea

[2] Univ Seoul, Dept Appl Chem, Seoul 02504, South Korea

来源：

BULLETIN OF THE KOREAN CHEMICAL SOCIETY | 2021年 / 42卷 / 07期

基金：

新加坡国家研究基金会;

关键词：

Organic photovoltaics; Morphological stability; Coarse‐ grained molecular dynamics simulation; POLYMER SOLAR-CELLS; CHARGE SEPARATION; HETEROJUNCTIONS; P3HT/PCBM; DESIGN;

D O I：

10.1002/bkcs.12292

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We have performed coarse-grained molecular dynamics simulations of organic photovoltaic (OPV) 5wcells consisting of poly(3-hexyl-thiophene) (P3HT), phenyl-C61-butyric acid methyl ester (PC61BM), and phenyl-C71-butyricacid methyl ester (PC71BM) to investigate the effects of the solvent evaporation rate and the number of components in the morphological stability of OPV. Two different solvent evaporation processes were employed in this study. In the instantaneous solvent removal process, unstable pores are formed because of the slow translational relaxation of the electron receptors. In case of the gradual solvent removal process, the stable film formation is observed without any pore. In addition, the ternary OPV system shows better stability than binary systems by slowing down the phase separation.

引用

页码：988 / 993

页数：6

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