Enhanced figure of merit for famatinite Cu_(3)SbSe_(4)via band structure tuning and hierarchical architecture

作     者：Lijun Zhao Haolin Ye Xinmeng Wu Jian Yang Lihua Yu Zhongqi Shi Shahid Hussain Guanjun Qiao Junhua Xu Bangzhi Ge Li Wang Chongjian Zhou Lijun Zhao;Haolin Ye;Xinmeng Wu;Jian Yang;Lihua Yu;Zhongqi Shi;Shahid Hussain;Guanjun Qiao;Junhua Xu;Bangzhi Ge;Li Wang;Chongjian Zhou

作者机构：School of Materials Science and EngineeringJiangsu University of Science and TechnologyZhenjiang212100JiangsuChina State Key Laboratory of Solidification ProcessingKey Laboratory of Radiation Detection Materials and DevicesMinistry of Industry and Information TechnologyNorthwestern Polytechnical UniversityXi'an710072ShaanxiChina School of Materials Science and EngineeringJiangsu UniversityZhenjiang212013JiangsuChina State Key Laboratory for Mechanical Behavior of MaterialsXi'an Jiaotong UniversityXi'an710049ShaanxiChina 

出 版 物：《Journal of Materiomics》 (无机材料学学报（英文）)

年 卷 期：2023年第9卷第6期

页      面：1263-1272页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by the National Natural Science Foundation of China(51572111,52172090) the Natural Science Foundation(BK20210779) the University-Industry Research Cooperation Project(BY20221151) the Universities Natural Science Research Project(21KJB430019)of Jiangsu Province 

主　　题：Cu3SbSe4-Based materials Defects Band gap Thermoelectric properties Solid solution 

摘      要：The p-type Te-free Cu_(3)SbSe_(4)with famatinite structure is a potential candidate for thermoelectric materials due to the low cost and eco-friendly constituent ***,its strong bipolar effect and high lattice thermal conductivity(klat)are the main challenges for its performance ***,we report a new strategy to enhance its figure of merit zT~0.86 at 673 K for Cu_(3)Sb_(0.95)Fe_(0.05)Se_(2.8)S_(1.2)via band structure tuning and hierarchical ***,S substituted Se atoms in lattice can widen the band gap to alleviate the bipolar ***,Fe doping in Sb site significantly increases the density of states,thus increasing the carrier effective mass,and obtaining a remarkably high Seebeck coefficient of~560 mV/K at 300 ***,the induced hierarchical architecture defects resulting in a minimum klat of~0.48 W·m^(-1)·K^(-1)at 673 ***,the improved Seebeck coefficient combined with low thermal conductivity leads to an enhanced zT.