Giant reduction in thermal conductivity of extended type-I silicon clathrates and prominent thermal effect of 6d guest Wyckoff positions

Author:

Gao Yufei12345ORCID,Zhang Xiaoliang67894,Zhou Yanguang10111213,Hu Ming514151116ORCID

Affiliation:

1. School of Architecture & Civil Engineering

2. Shenyang University of Technology

3. Shenyang 110870

4. China

5. Institute of Mineral Engineering

6. Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education

7. School of Energy and Power Engineering

8. Dalian University of Technology

9. Dalian 116024

10. Aachen Institute for Advanced Study in Computational Engineering Science (AICES)

11. RWTH Aachen University

12. 52062 Aachen

13. Germany

14. Division of Materials Science and Engineering

15. Faculty of Georesources and Materials Engineering

16. 52064 Aachen

Abstract

Clathrates exhibit exceptional properties such as high-performance thermoelectrics. The extension of cages and guest atoms in 6d Wyckoff positions (other than 2a positions) both have huge reduction effect on the thermal conductivity of Type-I clathrates, which provides important guidance to exploring new kinds of silicon clathrates for advanced thermoelectrics.

Funder

Department of Education of Liaoning Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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