Perspective: n-type oxide thermoelectrics via visual search strategies
Abstract
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.
- Authors:
-
[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
- Publication Date:
- Research Org.:
- Jilin Univ., Changchun (China); Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1237985
- Alternate Identifier(s):
- OSTI ID: 1287445
- Grant/Contract Number:
- SC0001299/DE-FG02-09ER46577; SC0001299; FG02-09ER46577
- Resource Type:
- Published Article
- Journal Name:
- APL Materials
- Additional Journal Information:
- Journal Name: APL Materials Journal Volume: 4 Journal Issue: 5; Journal ID: ISSN 2166-532X
- Publisher:
- American Institute of Physics
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; power-generation; energy-conversion; performance; semiconductors; phase; bands; doping; band structure; anisotropy; dielectric oxides; niobium
Citation Formats
Xing, Guangzong, Sun, Jifeng, Ong, Khuong P., Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Perspective: n-type oxide thermoelectrics via visual search strategies. United States: N. p., 2016.
Web. doi:10.1063/1.4941711.
Xing, Guangzong, Sun, Jifeng, Ong, Khuong P., Fan, Xiaofeng, Zheng, Weitao, & Singh, David J. Perspective: n-type oxide thermoelectrics via visual search strategies. United States. https://doi.org/10.1063/1.4941711
Xing, Guangzong, Sun, Jifeng, Ong, Khuong P., Fan, Xiaofeng, Zheng, Weitao, and Singh, David J. Fri .
"Perspective: n-type oxide thermoelectrics via visual search strategies". United States. https://doi.org/10.1063/1.4941711.
@article{osti_1237985,
title = {Perspective: n-type oxide thermoelectrics via visual search strategies},
author = {Xing, Guangzong and Sun, Jifeng and Ong, Khuong P. and Fan, Xiaofeng and Zheng, Weitao and Singh, David J.},
abstractNote = {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.},
doi = {10.1063/1.4941711},
journal = {APL Materials},
number = 5,
volume = 4,
place = {United States},
year = {Fri Feb 12 00:00:00 EST 2016},
month = {Fri Feb 12 00:00:00 EST 2016}
}
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