Designing high-performance layered thermoelectric materials through orbital engineering

Jiawei Zhang; Lirong Song; Georg K. H. Madsen; Karl F. F. Fischer; Wenqing Zhang; Xun Shi; Bo B. Iversen

doi:10.1038/ncomms10892

Nature Communications (Mar 2016)

Designing high-performance layered thermoelectric materials through orbital engineering

Jiawei Zhang,
Lirong Song,
Georg K. H. Madsen,
Karl F. F. Fischer,
Wenqing Zhang,
Xun Shi,
Bo B. Iversen

Affiliations

Jiawei Zhang: Department of Chemistry and iNANO, Center for Materials Crystallography, Aarhus University, Langelandsgade 140
Lirong Song: Department of Chemistry and iNANO, Center for Materials Crystallography, Aarhus University, Langelandsgade 140
Georg K. H. Madsen: Computational Materials Discovery, ICAMS, Ruhr-Universität Bochum
Karl F. F. Fischer: Department of Chemistry and iNANO, Center for Materials Crystallography, Aarhus University, Langelandsgade 140
Wenqing Zhang: State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences
Xun Shi: State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences
Bo B. Iversen: Department of Chemistry and iNANO, Center for Materials Crystallography, Aarhus University, Langelandsgade 140

DOI: https://doi.org/10.1038/ncomms10892
Journal volume & issue: Vol. 7, no. 1
pp. 1 – 7

Abstract

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Thermoelectric materials with enhanced performances need to be identified. Here, the authors use the crystal field splitting energy of orbitals as a descriptor to design thermoelectric materials by solid solution maps and strain engineering in layered CaAl2Si2-type Zintl compounds.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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