版权说明 操作指南
首页 > 成果 > 详情

Time-Domain ab lnitio Analysis Rationalizes the Unusual Temperature Dependence of Charge Carrier Relaxation in Lead Halide Perovskite

认领
导出
Link by DOI
反馈
分享
QQ微信 微博
成果类型:
期刊论文
作者:
Li, Wei*;Tang, Jianfeng;Casanova, David;Prezhdo, Oleg V.*
通讯作者:
Li, Wei;Prezhdo, Oleg V.
作者机构:
[Tang, Jianfeng; Li, Wei] Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.
[Casanova, David] DIPC, Donostia San Sebastian 20018, Euskadi, Spain.
[Casanova, David] IKERBASQUE, Basque Fdn Sci, Bilbao 48013, Euskadi, Spain.
[Prezhdo, Oleg V.] Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA.
通讯机构:
[Li, Wei] H
[Prezhdo, Oleg V.] U
Hunan Agr Univ, Coll Sci, Changsha 410128, Hunan, Peoples R China.
Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA.
语种:
英文
期刊:
ACS Energy Letters
ISSN:
2380-8195
年:
2018
卷:
3
期:
11
页码:
2713-2720
基金类别:
O.V.P. acknowledges funding from the U.S. Department of Energy, Grant DE-SC0014429, and is grateful to the Donostia International Physics Center for support during a summer visit. W.L. acknowledges startup funding by Hunan Agricultural University, Grant 540499818006. J.T. acknowledges support by the National Nature Science Foundation of China, Grant 51301066. D.C. acknowledges support from the Basque Government (Project IT588-13) and IKERBASQUE, Basque Foundation for Science. The simulations were performed at the University of Southern California’s Center for High-Performance Computing (hpcc.usc.edu).
机构署名:
本校为第一且通讯机构
院系归属:
理学院
摘要:
Increased charge carrier lifetimes at elevated temperatures constitute an intriguing and valuable feature of hybrid organic-inorganic perovskites that are subject to heating in solar energy applications. We rationalize this peculiar behavior at the atomistic level using real-Time time-dependent density functional theory and nonadiabatic molecular dynamics. Focusing on tetragonal MAPbI3, we demonstrate that temperature has different effects on the organic and inorganic subsystems and leads to subtle structural changes, decreasing nonradiative el...

反馈

验证码:
看不清楚,换一个
确定
取消

成果认领

标题:
用户 作者 通讯作者
请选择
请选择
确定
取消

提示

该栏目需要登录且有访问权限才可以访问

如果您有访问权限,请直接 登录访问

如果您没有访问权限,请联系管理员申请开通

管理员联系邮箱:yun@hnwdkj.com