Valence Bands Convergence in p-Type CoSb3 through Electronegative Fluorine Filling

首页 > 成果 > 详情

认领

导出

Link by 中国知网学术期刊 Link by 万方学术期刊

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：

Huang, Xiege;Li, Jialiang;Ma, Haoqin;Li, Changlong;Liu, Tianle;...

通讯作者：

Duan, Bo;Li, GD

作者机构：

[Ma, Haoqin; Li, Guodong; Li, Changlong; Liu, Tianle; Huang, Xiege; Duan, Bo; Zhai, Pengcheng] Wuhan Univ Technol, Hubei Key Lab Theory & Applicat Adv Mat Mech, Wuhan 430070, Peoples R China.

[Li, Jialiang] Wuhan Polytech Univ, Sch Civil Engn & Architecture, Wuhan 430023, Peoples R China.

[Li, Guodong; Zhai, Pengcheng] Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China.

通讯机构：

[Li, GD ; Duan, B] W

Wuhan Univ Technol, Hubei Key Lab Theory & Applicat Adv Mat Mech, Wuhan 430070, Peoples R China.

Wuhan Univ Technol, State Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Peoples R China.

语种：

英文

关键词：

Antimony compounds;Density functional theory;Filling;Skutterudites;Thermoelectricity;Valence bands;Co-optimization;Density-functional theory calculations;Effective mass;Electric transport;Filled skutterudites;P-type;P-type skutterudite;Thermoelectric performance;Thermoelectric properties;Valence-band maximums;Fluorine

期刊：

中国物理快报(英文)

ISSN：

0256-307X

年：

2024

卷：

期：

页码：

077102

DOI：

10.1088/0256-307X/41/7/077102

基金类别：

National Natural Science Foundation of China, NSFC, (52171220, 92163212, 92163119) National Natural Science Foundation of China, NSFC National College Students Innovation and Entrepreneurship Training Program, (S202310497202) National College Students Innovation and Entrepreneurship Training Program Wuhan Polytechnic University, WHPU, (2022RZ059) Wuhan Polytechnic University, WHPU

机构署名：

本校为其他机构

院系归属：

土木工程与建筑学院

摘要：

Band convergence is considered to be a strategy with clear benefits for thermoelectric performance, generally favoring the co-optimization of conductivity and Seebeck coefficients, and the conventional means include elemental filling to regulate the band. However, the influence of the most electronegative fluorine on the CoSb3 band remains unclear. We carry out density-functional-theory calculations and show that the valence band maximum gradually shifts downward with the increase of fluorine filling, lastly the valence band maximum converges t...

摘要(中文)：

Band convergence is considered to be a strategy with clear benefits for thermoelectric performance,generally favoring the co-optimization of conductivity and Seebeck coefficients,and the conventional means include elemental filling to regulate the band.However,the influence of the most electronegative fluorine on the CoSb3 band remains unclear.We carry out density-functional-theory calculations and show that the valence band maximum gradually shifts downward with the increase of fluorine filling,lastly the valence band maximum converges to the highly dege...

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

Valence Bands Convergence in p-Type CoSb3 through Electronegative Fluorine Filling

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