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

doi:10.1016/j.nanoen.2020.105084

HFCAS OpenIR

	Strong lattice anharmonicity securing intrinsically low lattice thermal conductivity and high performance thermoelectric SnSb2Te4 via Se alloying
	Wu, Hong1,2 ; Lu, Xu 1; Wang, Guoyu 2; Peng, Kunling 3; Zhang, Bin3 ; Chen, Yongjin 3; Gong, Xiangnan 3; Tang, Xiaodan 1; Zhang, Xuemei 4; Feng, Zhenzhen 4; Han, Guang 5; Zhang, Yongsheng 4; Zhou, Xiaoyuan 1
	2020-10-01
发表期刊	NANO ENERGY
ISSN	2211-2855
通讯作者	Zhou, Xiaoyuan(xiaoyuan2013@cqu.edu.cn)
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.
关键词	Thermoelectric SnSb2Te4 Band convergence Lattice anharmonicity Defects
DOI	10.1016/j.nanoen.2020.105084
关键词[WOS]	ZT ; LEAD ; SNS
收录类别	SCI
语种	英语
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]
项目资助者	National Natural Science Foundation of China ; Fundamental Research Funds for the Central Universities ; Key Research Program of Frontier Sciences, CAS
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目	Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied
WOS记录号	WOS:000573074100003
出版者	ELSEVIER
引用统计	被引频次：43[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/104194
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, Coll Phys, Chongqing 401331, Peoples R China 2.Chinese Acad Sci, Chongqing Inst Green & Intelligent Technol, Chongqing 400714, Peoples R China 3.Chongqing Univ, Analyt & Testing Ctr, Chongqing 401331, Peoples R China 4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China 5.Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400044, 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).