Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S
文献类型：期刊论文
| 作者 | Cui, JL; He, TT; Han, ZK; Liu, XL; Du, ZL |
| 刊名 | SCIENTIFIC REPORTS
 |
| 出版日期 | 2018 |
| 卷号 | 8页码:- |
| 关键词 | Total-energy Calculations Wave Basis-set Thermal-conductivity Crystal-structure Efficiency Cu2sns3 Defects |
| ISSN号 | 2045-2322 |
| DOI | 10.1038/s41598-018-26362-z |
| 文献子类 | 期刊论文 |
| 英文摘要 | Cu-Sn-S family of compounds have been considered as very competitive thermoelectric candidates in recent years due to their abundance and eco-friendliness. The first-principles calculation reveals that the density of states (DOS) increases in the vicinity of the Fermi level (E-f) upon an incorporation of Se in the Cu4Sn7.5S16-xSex (x = 0-2.0) system, which indicates the occurrence of resonant states. Besides, the formation of Cu(Sn)-Se network upon the occupation of Se in S site reduces the Debye temperature from 395 K for Cu4Sn7S16 (x = 0) to 180.8 K for Cu4Sn7.5S16-xSex (x = 1.0). Although the point defects mainly impact the phonon scattering, an electron-phonon interaction also bears significance in the increase in phonon scattering and the further reducion of lattice thermal conductivity at high temperatures. As a consequence, the resultant TE figure of merit (ZT) reaches 0.5 at 873 K, which is 25% higher compared to 0.4 for Cu4Sn7.5S16. |
| 语种 | 英语 |
| WOS记录号 | WOS:000433289600018 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/29040]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 作者单位 | 1.Cui, JL 2.He, TT 3.Han, ZK 4.Liu, XL 5.Du, ZL |
| 推荐引用方式 GB/T 7714 | Cui, JL,He, TT,Han, ZK,et al. Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S[J]. SCIENTIFIC REPORTS,2018,8:-. |
| APA | Cui, JL,He, TT,Han, ZK,Liu, XL,&Du, ZL.(2018).Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S.SCIENTIFIC REPORTS,8,-. |
| MLA | Cui, JL,et al."Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S".SCIENTIFIC REPORTS 8(2018):-. |
入库方式： OAI收割
来源：上海应用物理研究所
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