Published in
Royal Society of Chemistry, Journal of Materials Chemistry A: materials for energy and sustainability, 40(6), p. 19502-19519, 2018
DOI: 10.1039/c8ta06470a
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First-principles calculations and experimental studies of XYZ2 thermoelectric compounds: detailed analysis of van der Waals interactions
Journal article published in 2018 by
Jan-Hendrik Pöhls,
Zhe Luo 
,
Umut Aydemir ,
Jon-Paul Sun,
Shiqiang Hao,
Jiangang He,
Ian G. Hill,
Geoffroy Hautier ,
Anubhav Jain ,
Xiaoqin Zeng,
Chris Wolverton,
G. Jeffrey Snyder ,
Hong Zhu,
Mary Anne White
,
Umut Aydemir ,
Jon-Paul Sun,
Shiqiang Hao,
Jiangang He,
Ian G. Hill,
Geoffroy Hautier ,
Anubhav Jain ,
Xiaoqin Zeng,
Chris Wolverton,
G. Jeffrey Snyder ,
Hong Zhu,
Mary Anne White
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Abstract
van der Waals interactions enhanced the prediction of properties in layered thermoelectrics.