Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S

doi:10.1038/s41598-018-26362-z

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Improved thermoelectric performance of solid solution Cu4Sn7.5S16 through isoelectronic substitution of Se for S
	Cui, JL ; He, TT ; Han, ZK ; Liu, XL ; Du, ZL
刊名	SCIENTIFIC REPORTS
	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
内容类型	期刊论文
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):-.