Novel metal oxides with promising high-temperature thermoelectric performance

Author:

Peng Liyu12,Miao Naihua12,Wang Guanjie12ORCID,Zhou Jian12ORCID,Elliott Stephen R.1234,Sun Zhimei12ORCID

Affiliation:

1. School of Materials Science and Engineering, Beihang University, Beijing 100191, China

2. Center for Integrated Computational Materials Engineering, International Research Institute for Multidisciplinary Science, Beihang University, Beijing 100191, China

3. Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK

4. Physical and Theoretical Chemistry Laboratory, University of Oxford, Oxford OX1 3QZ, UK

Abstract

By performing high-throughput calculations, we have successfully screened out a novel class of metal oxides MTa2O6 (M = Mg, Ca) as promising candidate thermoelectric materials for high-temperature applications.

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

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