Understanding thermoelectric properties from high-throughput calculations: trends, insights, and comparisons with experiment

Author:

Chen Wei12345,Pöhls Jan-Hendrik6789,Hautier Geoffroy10111213,Broberg Danny141523,Bajaj Saurabh1231617,Aydemir Umut161718314,Gibbs Zachary M.1617183,Zhu Hong19202122,Asta Mark141523,Snyder G. Jeffrey161718314ORCID,Meredig Bryce23243,White Mary Anne6789,Persson Kristin1231415,Jain Anubhav123

Affiliation:

1. Lawrence Berkeley National Laboratory

2. Berkeley

3. USA

4. Department of Mechanical

5. Materials and Aerospace Engineering

6. Department of Physics and Atmospheric Science

7. Dalhousie University

8. Halifax

9. Canada

10. Institute of Condensed Matter and Nanosciences (IMCN)

11. Université catholique de Louvain

12. Louvain-la-Neuve 1348

13. Belgium

14. Department of Materials Science and Engineering

15. University of California

16. Materials Science

17. California Institute of Technology

18. Pasadena

19. University of Michigan – Shanghai Jiao Tong University Joint Institute

20. Shanghai Jiao Tong University

21. Shanghai 200240

22. China

23. Citrine Informatics

24. Redwood City

Abstract

An overview of computed thermoelectric properties for more than 48 000 inorganic compounds from the Materials Project (MP).

Funder

U.S. Department of Energy

Basic Energy Sciences

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Reference104 articles.

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