Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures

doi:10.1016/j.nanoen.2019.03.031

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	Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures
	Hong, Min; Wang, Yuan; Xu, Shengduo; Shi, Xun; Chen, Lidong; Zou, Jin; Chen, Zhi-Gang
	2019-06-01
Source Publication	NANO ENERGY
ISSN	2211-2855
Volume	60 Pages:1
Subtype	Article
Abstract	Thermoelectric performance is proportional to the thermal conductivity reciprocal and power-factor, which are impacted by microstructures and electronic band structures, respectively. Herein, we study the effect of nanoscale pores on thermal conductivity. Within Cd-doped SnTe1-xSex, electron microscopy characterizations indicate the majority of pores are less than 200 nm, which is comparable to the phonon mean free path. Together with the point defects and nanoprecipitates, an ultra-low lattice thermal conductivity is obtained. Electrically, we find that the slight overdose of cation lone pair s(2) character at Sigma point of the first Brillion zone yields the energetically higher valence band edge at L point than at E point in rock-salt chalcogenides. As for SnTe1-xSex, Cd is a dopant free of lone pair s(2) orbital. Cd doping decreases the energy offset of multivalence bands for SnTe1-xSex, by partially reducing the cation lone pair s(2) character. The refined band structures yield an enhanced power-factor. Combined with the decreased thermal conductivity, a figure-of-merit > 1.5 has been obtained. The demonstrated strategies of exploring nanoscale pores with size matching phonon mean free path to decrease lattice thermal conductivity and the computationally screening suitable dopants to modify band structures can enlighten the development of high-performance thermoelectric candidates in wide materials.
Keyword	Nanoscale pores Phonon scatterings Thermoelectrics Molecular orbital theory Density functional theory calculations
DOI	10.1016/j.nanoen.2019.03.031
Language	英语
WOS Research Area	Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
Publisher	ELSEVIER SCIENCE BV
Citation statistics
Document Type	期刊论文
Identifier	http://ir.sic.ac.cn/handle/331005/27081
Collection	中国科学院上海硅酸盐研究所
Recommended Citation GB/T 7714	Hong, Min,Wang, Yuan,Xu, Shengduo,et al. Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures[J]. NANO ENERGY,2019,60:1.
APA	Hong, Min.,Wang, Yuan.,Xu, Shengduo.,Shi, Xun.,Chen, Lidong.,...&Chen, Zhi-Gang.(2019).Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures.NANO ENERGY,60,1.
MLA	Hong, Min,et al."Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures".NANO ENERGY 60(2019):1.

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