Unraveling the relationships between chemical bonding and thermoelectric properties: n-type ABO3 perovskites

Author:

Cao Yan1ORCID,Zhu Zhenyu1,Li Xin2,Xi Jinyang13ORCID,Singh David J.4,Xi Lili13ORCID,Yang Jiong13ORCID,Zhang Wenqing5

Affiliation:

1. Materials Genome Institute, Shanghai University, Shanghai 200444, China

2. State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050, China

3. Zhejiang Laboratory, Hangzhou, Zhejiang 311100, China

4. Department of Physics and Astronomy, University of Missouri, Columbia, MO 65211, USA

5. Department of Materials Science and Engineering, Shenzhen Institute for Quantum Science & Technology, Southern University of Science and Technology, Shenzhen, Guangdong 518055, China

Abstract

Using the high-throughput method, 46 n-type cubic ABO3 were classified into four types based on their different conduction band minima and chemical bondings, and 13 of them were proposed with potentially good thermoelectric performance.

Funder

National Natural Science Foundation of China

National Key Research and Development Program of China

Higher Education Discipline Innovation Project

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry

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