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This content will become publicly available on March 20, 2019

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

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:
Grant/Contract Number:
SC0001299; SC0014520
Type:
Publisher's Accepted Manuscript
Journal Name:
Energy & Environmental Science
Additional Journal Information:
Related Information: CHORUS Timestamp: 2018-04-20 04:50:46; Journal ID: ISSN 1754-5692
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1434107