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Title: First-principles calculations and experimental studies of XYZ 2 thermoelectric compounds: detailed analysis of van der Waals interactions

Abstract

van der Waals interactions enhanced the prediction of properties in layered thermoelectrics.

Authors:
 [1]; ORCiD logo [2];  [3];  [4];  [5];  [5];  [6]; ORCiD logo [7];  [8];  [9];  [5]; ORCiD logo [5];  [10]; ORCiD logo [6]
  1. Department of Physics and Atmospheric Science, Dalhousie University, Halifax, Canada
  2. National Engineering Research Center of Light Alloy Net Forming, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China, Department of Materials Science and Engineering
  3. Department of Materials Science and Engineering, Northwestern University, USA, Department of Chemistry, Koc University
  4. Department of Physics and Atmospheric Science, Dalhousie University, Halifax, Canada, Department of Mechanical Engineering and Materials Science
  5. Department of Materials Science and Engineering, Northwestern University, USA
  6. Department of Physics and Atmospheric Science, Dalhousie University, Halifax, Canada, Clean Technologies Research Institute
  7. Institute of Condensed Matter and Nanosciences (IMCN), Université Catholique de Louvain, B-1348 Louvain-la-Neuve, Belgium
  8. Energy Technologies Area, Lawrence Berkeley National Lab, Berkeley, USA
  9. National Engineering Research Center of Light Alloy Net Forming, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China
  10. State Key Laboratory of Metal Matrix Composite, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China, University of Michigan – Shanghai Jiao Tong University Joint Institute
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1475238
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry. A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry. A Journal Volume: 6 Journal Issue: 40; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Pöhls, Jan-Hendrik, Luo, Zhe, Aydemir, Umut, Sun, Jon-Paul, Hao, Shiqiang, He, Jiangang, Hill, Ian G., Hautier, Geoffroy, Jain, Anubhav, Zeng, Xiaoqin, Wolverton, Chris, Snyder, G. Jeffrey, Zhu, Hong, and White, Mary Anne. First-principles calculations and experimental studies of XYZ 2 thermoelectric compounds: detailed analysis of van der Waals interactions. United Kingdom: N. p., 2018. Web. doi:10.1039/C8TA06470A.
Pöhls, Jan-Hendrik, Luo, Zhe, Aydemir, Umut, Sun, Jon-Paul, Hao, Shiqiang, He, Jiangang, Hill, Ian G., Hautier, Geoffroy, Jain, Anubhav, Zeng, Xiaoqin, Wolverton, Chris, Snyder, G. Jeffrey, Zhu, Hong, & White, Mary Anne. First-principles calculations and experimental studies of XYZ 2 thermoelectric compounds: detailed analysis of van der Waals interactions. United Kingdom. doi:10.1039/C8TA06470A.
Pöhls, Jan-Hendrik, Luo, Zhe, Aydemir, Umut, Sun, Jon-Paul, Hao, Shiqiang, He, Jiangang, Hill, Ian G., Hautier, Geoffroy, Jain, Anubhav, Zeng, Xiaoqin, Wolverton, Chris, Snyder, G. Jeffrey, Zhu, Hong, and White, Mary Anne. Tue . "First-principles calculations and experimental studies of XYZ 2 thermoelectric compounds: detailed analysis of van der Waals interactions". United Kingdom. doi:10.1039/C8TA06470A.
@article{osti_1475238,
title = {First-principles calculations and experimental studies of XYZ 2 thermoelectric compounds: detailed analysis of van der Waals interactions},
author = {Pöhls, Jan-Hendrik and Luo, Zhe and Aydemir, Umut and Sun, Jon-Paul and Hao, Shiqiang and He, Jiangang and Hill, Ian G. and Hautier, Geoffroy and Jain, Anubhav and Zeng, Xiaoqin and Wolverton, Chris and Snyder, G. Jeffrey and Zhu, Hong and White, Mary Anne},
abstractNote = {van der Waals interactions enhanced the prediction of properties in layered thermoelectrics.},
doi = {10.1039/C8TA06470A},
journal = {Journal of Materials Chemistry. A},
issn = {2050-7488},
number = 40,
volume = 6,
place = {United Kingdom},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1039/C8TA06470A

Citation Metrics:
Cited by: 3 works
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