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Title: A valence balanced rule for discovery of 18-electron half-Heuslers with defects

Abstract

Thermodynamically stable ground state half-Heusler structures are valence balanced irrespective of electron count or stoichiometry.

Authors:
ORCiD logo [1];  [2];  [1];  [3]; ORCiD logo [1]; ORCiD logo [4];  [1]; ORCiD logo [1]
  1. Department of Materials Science and Engineering, Northwestern University, Evanston, USA
  2. State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China
  3. Department of Materials Science and Engineering, Northwestern University, Evanston, USA, Department of Chemistry
  4. State Key Laboratory of Silicon Materials and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, China, Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Province
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1434107
Grant/Contract Number:
SC0001299; SC0014520
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Journal Volume: 11; Journal Issue: 6; Related Information: CHORUS Timestamp: 2018-06-15 13:43:31; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Anand, Shashwat, Xia, Kaiyang, I. Hegde, Vinay, Aydemir, Umut, Kocevski, Vancho, Zhu, Tiejun, Wolverton, Chris, and Snyder, G. Jeffrey. A valence balanced rule for discovery of 18-electron half-Heuslers with defects. United Kingdom: N. p., 2018. Web. doi:10.1039/C8EE00306H.
Anand, Shashwat, Xia, Kaiyang, I. Hegde, Vinay, Aydemir, Umut, Kocevski, Vancho, Zhu, Tiejun, Wolverton, Chris, & Snyder, G. Jeffrey. A valence balanced rule for discovery of 18-electron half-Heuslers with defects. United Kingdom. doi:10.1039/C8EE00306H.
Anand, Shashwat, Xia, Kaiyang, I. Hegde, Vinay, Aydemir, Umut, Kocevski, Vancho, Zhu, Tiejun, Wolverton, Chris, and Snyder, G. Jeffrey. Mon . "A valence balanced rule for discovery of 18-electron half-Heuslers with defects". United Kingdom. doi:10.1039/C8EE00306H.
@article{osti_1434107,
title = {A valence balanced rule for discovery of 18-electron half-Heuslers with defects},
author = {Anand, Shashwat and Xia, Kaiyang and I. Hegde, Vinay and Aydemir, Umut and Kocevski, Vancho and Zhu, Tiejun and Wolverton, Chris and Snyder, G. Jeffrey},
abstractNote = {Thermodynamically stable ground state half-Heusler structures are valence balanced irrespective of electron count or stoichiometry.},
doi = {10.1039/C8EE00306H},
journal = {Energy & Environmental Science},
number = 6,
volume = 11,
place = {United Kingdom},
year = {Mon Jan 01 00:00:00 EST 2018},
month = {Mon Jan 01 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on March 20, 2019
Publisher's Accepted Manuscript

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