Electronic transport descriptors for the rapid screening of thermoelectric materials-Reference-Cited by-同舟云学术

Electronic transport descriptors for the rapid screening of thermoelectric materials

Published:2021 Issue:9 Volume:8 Page:2463-2474
ISSN:2051-6347
Container-title:Materials Horizons
language:en
Short-container-title:Mater. Horiz.

Author:

Deng Tianqi¹^ORCID,Recatala-Gomez Jose²³^ORCID,Ohnishi Masato⁴,Repaka D. V. Maheswar³,Kumar Pawan³,Suwardi Ady³^ORCID,Abutaha Anas³⁵,Nandhakumar Iris²,Biswas Kanishka⁶^ORCID,Sullivan Michael B.¹^ORCID,Wu Gang¹^ORCID,Shiomi Junichiro⁴^ORCID,Yang Shuo-Wang¹^ORCID,Hippalgaonkar Kedar³⁷^ORCID

Affiliation:

1. Institute of High Performance Computing, Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, Singapore 138632, Republic of Singapore

2. Department of Chemistry, University of Southampton, University Road, Highfield, Southampton SO17 1BJ, UK

3. Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Singapore 138634, Republic of Singapore

4. Department of Mechanical Engineering, The University of Tokyo, Hongo 7-3-1, Bunkyo-ku, Tokyo 113-8656, Japan

5. Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, Doha, 34110, Qatar

6. New Chemistry Unit and School of Advanced Materials and International Centre for Materials Science, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR), Bangalore 560064, India

7. School of Material Science and Engineering, Nanyang Technological University, Block N4.1, 50 Nanyang Avenue, Singapore 639798, Republic of Singapore

Abstract

We use efficient first principles calculation of carrier scattering times to derive transport descriptors for mobility and thermoelectric powerfactor. Low carrier mass and high dielectric constant are critical, validated on promising ABX2 compounds.

Funder

Science and Engineering Research Council

Agency for Science, Technology and Research

National Research Foundation

Japan Society for the Promotion of Science

Japan Science and Technology Corporation

Publisher

Royal Society of Chemistry (RSC)

Subject

Electrical and Electronic Engineering,Process Chemistry and Technology,Mechanics of Materials,General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2021/MH/D1MH00751C