High Thermoelectric Performance of New Rhombohedral Phase of GeSe stabilized through Alloying with AgSbSe2

Huang, Zhiwei; Miller, Samuel A.; Ge, Binghui; Yan, Mingtao; Anand, Shashwat; Wu, Tianmin; Nan, Pengfei; Zhu, Yuanhu; Zhuang, Wei; Snyder, G. Jeffrey; Jiang, Peng; Bao, Xinhe

doi:10.1002/ange.201708134

Title: High Thermoelectric Performance of New Rhombohedral Phase of GeSe stabilized through Alloying with AgSbSe₂

Journal Article · 20 September 2017 · Angewandte Chemie

DOI: https://doi.org/10.1002/ange.201708134 · OSTI ID:1470454

Huang, Zhiwei ^[1]; Miller, Samuel A. ^[2]; Ge, Binghui ^[3]; Yan, Mingtao ^[1]; Anand, Shashwat ^[2]; Wu, Tianmin ^[4]; Nan, Pengfei ^[5]; Zhu, Yuanhu ^[6]; Zhuang, Wei ^[7]; Snyder, G. Jeffrey ^[2]; Jiang, Peng ^[6]; Bao, Xinhe ^[6]

Chinese Academy of Sciences (CAS), Dalian, Liaoning (China). CAS Center for Excellence in Nanoscience Inst. Dalian Inst. of Chemical Physics; Univ. of Chinese Academy of Sciences, Beijing (China)
Northwestern Univ., Evanston, IL (United States). Materials Science and Engineering Dept.
Chinese Academy of Sciences (CAS), Beijing (China). Beijing National Lab. for Condensed Matter Physics, Inst. of Physics
Chinese Academy of Sciences (CAS), Fuzhou, Fujian (China). State Key Lab. of Structural Chemistry Fujian Inst. of Research on the Structure of Matter
Beijing Inst. of Technology, Beijing (China). School of Physics
Chinese Academy of Sciences (CAS), Dalian, Liaoning (China). CAS Center for Excellence in Nanoscience Inst. Dalian Inst. of Chemical Physics
Chinese Academy of Sciences (CAS), Fuzhou, Fujian (China). State Key Lab. of Structural Chemistry Fujian Inst. of Research on the Structure of Matter

GeSe is a IV–VI semiconductor, like the excellent thermoelectric materials PbTe and SnSe. Orthorhombic GeSe has been predicted theoretically to have good thermoelectric performance but is difficult to dope experimentally. Like PbTe, rhombohedral GeTe has a multivalley band structure, which is ideal for thermoelectrics and also promotes the formation of Ge vacancies to provide enough carriers for electrical transport. Herein, we investigate the thermoelectric properties of GeSe alloyed with AgSbSe₂, which stabilizes a new rhombohedral structure with higher symmetry that leads to a multivalley Fermi surface and a dramatic increase in carrier concentration. The zT of GeAg_0.2Sb_0.2Se_1.4 reaches 0.86 at 710 K, which is 18 times higher than that of pristine GeSe and over four times higher than doped orthorhombic GeSe. Our results open a new avenue towards developing novel thermoelectric materials through crystal phase engineering using a strategy of entropy stabilization of high-symmetry alloys.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NNSF)

Grant/Contract Number:: SC0001299; FG02-09ER46577

OSTI ID:: 1470454

Journal Information:: Angewandte Chemie, Vol. 129, Issue 45; Related Information: S3TEC partners with Massachusetts Institute of Technology (lead); Boston College; Oak Ridge National Laboratory; Rensselaer Polytechnic Institute; ISSN 0044-8249

Publisher:: German Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
42 ENGINEERING
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
solar (photovoltaic)
solar (thermal)
solid state lighting
phonons
thermal conductivity
thermoelectric
defects
mechanical behavior
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spin dynamics
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Title: High Thermoelectric Performance of New Rhombohedral Phase of GeSe stabilized through Alloying with AgSbSe2

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Title: High Thermoelectric Performance of New Rhombohedral Phase of GeSe stabilized through Alloying with AgSbSe₂