Electron delocalization enhances the thermoelectric performance of misfit layer compound(Sn_(1-x)Bi_(x)S)_(1.2)(TiS_(2))_(2)

作     者：Xin Zhao Xuanwei Zhao Liwei Lin Ding Ren Bo Liu Ran Ang 赵昕;赵轩为;林黎蔚;任丁;刘波;昂然

作者机构：Key Laboratory of Radiation Physics and TechnologyMinistry of EducationInstitute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China Institute of New Energy and Low-Carbon TechnologySichuan UniversityChengdu 610065China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2022年第31卷第11期

页      面：82-88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）] 0703[理学-化学] 

基　　金：financially supported by the National Key Research and Development Program of China(Grant No.2018YFA0702100) the Joint Funds of the National Natural Science Foundation of China the Chinese Academy of Sciences’Large-Scale Scientific Facility(Grant No.U1932106) the Sichuan University Innovation Research Program of China(Grant No.2020SCUNL112) 

主　　题：misfit layer sulfide electron delocalization carrier mobility chemical bond 

摘      要：The misfit layer compound(SnS)_(1.2)(TiS_(2))_(2)is a promising low-cost thermoelectric material because of its low thermal conductivity derived from the superlattice-like ***,the strong covalent bonds within each constituent layer highly localize the electrons thereby it is highly challenging to optimize the power factor by doping or ***,we show that Bi doping at the Sn site markedly breaks the covalent bonds networks and highly delocalizes the *** results in a high charge carrier concentration and enhanced power factor throughout the whole temperature *** is highly remarkable that Bi doping also significantly reduces the thermal conductivity by suppressing the heat conduction carried by phonons,indicating that it independently modulates phonon and charge transport *** effects collectively give rise to a maximum ZT of 0.3 at 720 *** addition,we apply the single Kane band model and the Debye–Callaway model to clarify the electron and phonon transport mechanisms in the misfit layer compound(SnS)_(1.2)(TiS_(2))_(2).