Enhanced thermoelectric performance of two dimensional MS2(M=Mo,W)through phase engineering

作     者：Bin Ouyang Shunda Chen Yuhang Jing Tianran Wei Shiyun Xiong Davide Donadio 

作者机构：National Center for Supercomputing ApplicationsUniversity of Illinois at UrbanaeChampaignUrbanaIL61801United States Department of ChemistryUniversity of California DavisOne Shields Ave.DavisCalifornia95616United States Department of Astronautical Science and MechanicsHarbin Institute of TechnologyHarbinHeilongjiang150001China Beckman Institute for Advanced Science and TechnologyUniversity of Illinois at Urbana-ChampaignUrbanaIL61801United States State Key Laboratory of High Performance Ceramics and Superfine MicrostructureShanghai Institute of CeramicsChinese Academy of SciencesShanghai200050China Functional Nano and Soft Materials Laboratory(FUNSOM)and Collaborative Innovation Center of Suzhou Nano Science and TechnologySoochow UniversitySuzhouJiangsu215123China Max Planck Institute for Polymer ResearchAckermannweg 1055218MainzGermany 

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

年 卷 期：2018年第4卷第4期

页      面：329-337页

核心收录：

学科分类：0808[工学-电气工程] 0809[工学-电子科学与技术（可授工学、理学学位）] 0817[工学-化学工程与技术] 0806[工学-冶金工程] 08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0703[理学-化学] 0702[理学-物理学] 

基　　金：the Jiangsu provincial natural science funding Project(No.BK20160308) the NSF of Heilongjiang Province of China under Grants No.QC2015001 

主　　题：Phase engineering Thermoelectric Transition metal dichalcogenides 

摘      要：The potential application of monolayer MS2(M?Mo,W)as thermoelectric material has been widely studied since the first report of successful ***,their performances are hindered by the considerable band gap and the large lattice thermal conductivity in the pristine 2H *** discoveries of polymorphism in MS2s provide new opportunities for materials *** this work,phonon and electron transport properties of both 2H and 1T0 phases were investigated by first-principle *** is found that upon the phase transition from 2H to 1T0 in MS2,the electron transport is greatly enhanced,while the lattice thermal conductivity is reduced by several *** features lead to a significant enhancement of power factor by one order of magnitude in MoS2 and by three times in ***,the figure of merit can reach up to 0.33 for 1T0eMoS2 and 0.68 for 1T0eWS2 at low *** findings indicate that monolayer MS2 in the 1T0 phase can be promising materials for thermoelectric devices ***,this work demonstrates that phase engineering techniques can bring in one important control parameter in materials design.