Enhanced thermoelectric performance in n-type Mg_(3.2)Sb_(1.5)Bi_(0.5) doping with lanthanides at the Mg site

作     者：Lu Yu Zipei Zhang Juan Li Wenhao Li Shikai Wei Sitong Wei Guiwu Lu Weiyu Song Shuqi Zheng Lu Yu;Zipei Zhang;Juan Li;Wenhao Li;Shikai Wei;Sitong Wei;Guiwu Lu;Weiyu Song;Shuqi Zheng

作者机构：State Key Laboratory of Heavy Oil ProcessingCollege of New Energy and MaterialsChina University of PetroleumBeijing 102249China College of ScienceChina University of PetroleumBeijing 102249China 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：2022年第127卷第32期

页      面：108-114页

核心收录：

学科分类：08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：the National Natural Science Foundation of China(No.51871240) 

主　　题：Thermoelectric material First-principles calculation Mg_(3.2)Sb_(1.5)Bi_(0.5) 

摘      要：Mg-based thermoelectric materials have attracted more and more attention because of their rich composition elements,green environmental protection,and lower *** recent years,the thermoelectric properties of n-type Mg_(3)Sb_(2) materials have been optimized by doping chalcogenide elements(S,Se,and Te)at the anionic *** this work,n-type Mg_(3.2)A_(x)Sb_(1.5)Bi_(0.5)(A=Gd,Ho;x=0.01,0.02,0.03,and 0.4)samples were prepared by the cation site doping of lanthanide elements(Gd and Ho).The research results show that Gd and Ho doped n-type Mg3.2Sb1.5Bi0.5samples are entirely comparable to the S,Se,and Te doped n-type Mg3.2Sb1.5Bi0.5samples,demonstrating more excellent thermoelectric *** with lanthanides(Gd and Ho)at the Mg site increases the carrier concentration of the material to 8.161×10^(19)cm^(-3).Doping induces the contribution of more electron,thus obtaining higher *** maximum zT value of the Mg_(3.2)Gd_(0.02)Sb_(1.5)Bi_(0.5) and the Mg_(3.2)Ho_(0.02)Sb_(1.5)Bi_(0.5) samples reaches 1.61 and 1.55,*** work theoretically and experimentally demonstrates Gd and Ho are efficient n-type dopants for Mg_(3.2)Sb_(1.5)Bi_(0.5) thermoelectric material.