Work

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

Year: 2018

Type: article

Abstract: 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 Cu 4 Sn 7.5 S 16− x Se x ( 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 Cu 4 Sn 7 S 16 ( x = 0) to 180.8 K for Cu 4 Sn 7.5 S 16− x Se x ( 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 Cu 4 Sn 7.5 S 16 .

Source: Scientific Reports

DOI: 10.1038/s41598-018-26362-z

Authors: Jiaolin Cui, Tongtong He, Zhongkang Han, Xianglian Liu, Zhengliang Du

Institutions: Ningbo University of Technology, Chinese Academy of Sciences, Shanghai Institute of Applied Physics

Language: English

Topic: Advanced Thermoelectric Materials and Devices

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,690

Funders: National Natural Science Foundation of China, Taiyuan University of Technology