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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 PublicationNANO ENERGY
ISSN2211-2855
Volume60Pages:1
SubtypeArticle
AbstractThermoelectric 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.
KeywordNanoscale pores Phonon scatterings Thermoelectrics Molecular orbital theory Density functional theory calculations
DOI10.1016/j.nanoen.2019.03.031
Language英语
WOS Research AreaChemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
PublisherELSEVIER SCIENCE BV
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Document Type期刊论文
Identifierhttp://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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