宋雪旦

(副教授)

 硕士生导师
学位:博士
性别:女
毕业院校:九州大学
所在单位:化学学院
电子邮箱:song@dlut.edu.cn

论文成果

当前位置: 中文主页 >> 科学研究 >> 论文成果

Theoretical insight into the carrier mobility anisotropy of hole transport material Spiro-OMeTAD

发表时间:2019-03-11 点击次数:

论文名称:Theoretical insight into the carrier mobility anisotropy of hole transport material Spiro-OMeTAD
论文类型:期刊论文
发表刊物:CURRENT APPLIED PHYSICS
收录刊物:Scopus、SCIE、EI
卷号:17
期号:10
页面范围:1316-1322
ISSN号:1567-1739
关键字:HTM; Spiro-OMeTAD; Carrier mobility; Anisotropy; Recombination energy; Electronic coupling integral
摘要:All-solid-state organic-inorganic halide perovskite solar cells (PSCs) have attracted wide attention due to the rapid progress of power conversion efficiency in recent years. Hole transport material (HTM) in PSCs plays the role of extracting and transporting photo-excited holes. Anisotropy of carrier mobility is one important property for semiconductors, however, which still remains unclear for the dominant HTM spiro-OMeTAD used in PSCs. Based on Density Functional Theory (DFT) and Marcus theory, we for the first time conducted investigations on the anisotropy of carrier mobility along representative crystal planes of spiro-OMeTAD by recombination energy lambda and electronic coupling integral V. Results indicate that the holes and electrons show transport orientations consistency parallel to the (010), (101) and (111) crystal planes while inconsistency was found parallel to (100), (110), (011) and (001) crystal planes (with an angle ranged from 40 degrees to 70 degrees between the hole and electron transport directions). Our work embodies the theoretical significance of controllable and oriented fabrication of HTM in PSCs. (C) 2017 Elsevier B.V. All rights reserved.
发表时间:2017-10-01