Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying

doi:10.1016/j.nanoen.2020.105084

	Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying
	Wu, Hong 3,4; Lu, Xu 3; Wang, Guoyu 4; Peng, Kunling 1; Zhang, Bin 1; Chen, Yongjin 1; Gong, Xiangnan 1; Tang, Xiaodan 3; Zhang, Xuemei 5; Feng, Zhenzhen 5
刊名	NANO ENERGY
	2020-10-01
卷号	76
关键词	Thermoelectric SnSb2Te4 Band convergence Lattice anharmonicity Defects
ISSN号	2211-2855
DOI	10.1016/j.nanoen.2020.105084
通讯作者	Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn)
英文摘要	Seeking a material with intrinsically low lattice thermal conductivity is crucial for screening high-performance thermoelectric (TE) materials. Here, the TE properties of SnSb2(Te1-xSex)4 (0 <= x <= 0.25) samples are systematically investigated for the first time. An intrinsically ultralow lattice thermal conductivity (similar to 0.56 W m(-1) K-1 at 320 K and similar to 0.46 W m(-1) K-1 at 720 K) has been observed in SnSb2Te4, which can be ascribed to the weak chemical bonding as well as the bond anharmonicity verified by first-principles calculations. Furthermore, alloying with Se enables the remarkable increase in the Seebeck coefficients, resulting from the optimized carrier concentrations due to the enlarged formation energy of intrinsic SnSb-type antisite defects along with the simultaneous enhancement of density-of-states effective mass from the convergence of multiple carrier pockets. As a result, a peak zT value of 0.5 at 720 K and a significant improvement in average zT (similar to 200%) in SnSb2(Te0.75Se0.25)(4) are achieved. This work not only demonstrates the potential of SnSb2Te4-based compounds for practical TE applications, but also provides an insightful guidance to improve TE performance by defect and electronic band engineering.
资助项目	National Natural Science Foundation of China[11674040] ; National Natural Science Foundation of China[11904348 11604032] ; National Natural Science Foundation of China[51472036] ; National Natural Science Foundation of China[51672270] ; Fundamental Research Funds for the Central Universities[106112016CDJZR308808] ; Key Research Program of Frontier Sciences, CAS[QYZDB-SSW-SLH016]
WOS关键词	ZT ; LEAD ; SNS
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000573074100003
资助机构	National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Key Research Program of Frontier Sciences, CAS
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/104193]
专题	中国科学院合肥物质科学研究院
通讯作者	Zhou, Xiaoyuan
作者单位	1.Chongqing Univ, Analyt & Testing Ctr, Chongqing 401331, Peoples R China 2.Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400044, Peoples R China 3.Chongqing Univ, Coll Phys, Chongqing 401331, Peoples R China 4.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
推荐引用方式 GB/T 7714	Wu, Hong,Lu, Xu,Wang, Guoyu,et al. Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying[J]. NANO ENERGY,2020,76.
APA	Wu, Hong.,Lu, Xu.,Wang, Guoyu.,Peng, Kunling.,Zhang, Bin.,...&Zhou, Xiaoyuan.(2020).Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying.NANO ENERGY,76.
MLA	Wu, Hong,et al."Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying".NANO ENERGY 76(2020).