Perspective: n-type oxide thermoelectrics via visual search strategies

Xing, Guangzong; Sun, Jifeng; Ong, Khuong P.; Fan, Xiaofeng; Zheng, Weitao; Singh, David J.

doi:10.1063/1.4941711

Title: Perspective: n-type oxide thermoelectrics via visual search strategies

Journal Article · Fri Feb 12 00:00:00 EST 2016 · APL Materials

DOI:https://doi.org/10.1063/1.4941711· OSTI ID:1237985

Xing, Guangzong ^[1]; Sun, Jifeng ^[2]; Ong, Khuong P. ^[3]; Fan, Xiaofeng ^[1]; Zheng, Weitao ^[1];

^[2]

College of Materials Science and Engineering, Jilin University, 130012 Changchun, China
Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211-7010, USA
Institute of High Performance Computing, Agency for Science Technology and Research, 1 Fusionopolis Way, 16-16 Connexis, 138632 Singapore

We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n-type oxide thermoelectric materials. This includes a screen based on visualization of electronic energy isosurfaces. Lastly, we report compounds that show potential as thermoelectric materials along with detailed properties, including SrTiO₃, which is a known thermoelectric, and appropriately doped KNbO₃ and rutile TiO₂.

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Research Organization:: Jilin Univ., Changchun (China); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0001299/DE-FG02-09ER46577; SC0001299; FG02-09ER46577

OSTI ID:: 1237985

Alternate ID(s):: OSTI ID: 1287445

Journal Information:: APL Materials, Journal Name: APL Materials Vol. 4 Journal Issue: 5; ISSN 2166-532X

Publisher:: American Institute of PhysicsCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 43 works

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Title: Perspective: n-type oxide thermoelectrics via visual search strategies

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