Weak Anharmonicity Rationalizes the Temperature-Driven Acceleration of Nonradiative Dynamics in Cu2ZnSnS4Photoabsorbers

首页 > 成果 > 详情

认领

导出

Link by DOI

反馈

作者信息关键词期刊信息基础信息归属信息摘要

成果类型：

期刊论文

作者：

Zhang, Pingzhi;Hou, Zhufeng;Jiang, Li*;Yang, Jack;Saidi, Wissam A.;...

通讯作者：

Li, Wei;Jiang, Li

作者机构：

[Zhang, Pingzhi; Li, Wei] Hunan Agr Univ, Sch Chem & Mat Sci, Changsha 410128, Peoples R China.

[Hou, Zhufeng] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China.

[Yang, Jack] Univ New South Wales, Sch Mat Sci & Engn, Mat & Mfg Futures Inst, Sydney, NSW 2052, Australia.

[Saidi, Wissam A.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA.

[Prezhdo, Oleg, V] Univ Southern Calif, Dept Chem, Los Angeles, CA 90089 USA.

通讯机构：

[Li, Wei; Jiang, Li] H

Hunan Agr Univ, Sch Chem & Mat Sci, Changsha 410128, Peoples R China.

Hunan Agr Univ, Coll Resources & Environm, Changsha 410128, Peoples R China.

语种：

英文

关键词：

Cu2ZnSnS4;anharmonicity;charge carrier lifetime;nonadiabatic dynamics;real-time time-dependent density functional theory

期刊：

ACS Applied Materials & Interfaces

ISSN：

1944-8244

年：

2021

卷：

期：

页码：

61365-61373

DOI：

10.1021/acsami.1c21526

基金类别：

W.L. acknowledges financial support of the National Natural Science Foundation of China (no. 21903023), Science and Technology Innovation Program of Hunan Province (nos. 2021RC3089, 2021RC5006) China Postdoctoral Science Foundation (2021M701168), and Natural Science Foundation of Hunan Province (no. 2020JJ5225). P.Z.Z. acknowledges Innovation and Entrepreneurship Training Program for Undergraduates (no. S202110537016). W.A.S. acknowledges the financial support from the National Science Foundation (Award no. DMR-1809085). J.Y. acknowledges the financial support from the UNSW Materials and Manufacturing Futures Institute. O.V.P. acknowledges financial support of the U.S. Department of Energy (DE-SC0014429).

机构署名：

本校为第一且通讯机构

院系归属：

资源环境学院

摘要：

We report a time-domain ab initio investigation of the nonradiative electron-hole recombination in quaternary Cu2ZnSnS4 (CZTS) at different temperatures using a combination of time-dependent density functional theory and nonadiabatic molecular dynamics. Our results demonstrate that higher temperatures increase both inelastic and elastic electron-phonon interactions. Elevated temperatures moderately increase the lattice anharmonicity and cause stronger fluctuations of electronic energy levels, enhancing the electron-phonon coupling. The overall ...

反馈

产权有误：本人成果被他人认领

数据有误：数据基本信息有误

归属有误：成果的院系归属、机构署名归属有误

其他原因：

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

Weak Anharmonicity Rationalizes the Temperature-Driven Acceleration of Nonradiative Dynamics in Cu2ZnSnS4Photoabsorbers

反馈

成果认领

提示

该栏目需要登录且有访问权限才可以访问