Nanoscale pores plus precipitates rendering high-performance thermoelectric SnTe1-xSex with refined band structures
文献类型：期刊论文
| 作者 | Hong, Min; Wang, Yuan; Xu, Shengduo; Shi, Xun; Chen, Lidong; Zou, Jin; Chen, Zhi-Gang |
| 刊名 | NANO ENERGY
 |
| 出版日期 | 2019-06-01 |
| 卷号 | 60页码:1 |
| 关键词 | Nanoscale pores Phonon scatterings Thermoelectrics Molecular orbital theory Density functional theory calculations |
| ISSN号 | 2211-2855 |
| DOI | 10.1016/j.nanoen.2019.03.031 |
| 文献子类 | Article |
| 英文摘要 | 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. |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27081]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：上海硅酸盐研究所
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