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Title: First‐principles investigation of chemical stability and proton conductivity of M‐doped BaZrO 3 (M=K, Rb, and Cs)

Authors:
ORCiD logo [1];  [2]
  1. School of Chemical Engineering University of Ulsan Ulsan Korea, School of Chemical and Biomolecular Engineering Georgia Institute of Technology Atlanta Georgia
  2. School of Chemical and Biomolecular Engineering Georgia Institute of Technology Atlanta Georgia
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1401295
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of the American Ceramic Society
Additional Journal Information:
Journal Name: Journal of the American Ceramic Society Journal Volume: 100 Journal Issue: 7; Journal ID: ISSN 0002-7820
Publisher:
Wiley-Blackwell
Country of Publication:
United States
Language:
English

Citation Formats

Kang, Sung Gu, and Sholl, David S. First‐principles investigation of chemical stability and proton conductivity of M‐doped BaZrO 3 (M=K, Rb, and Cs). United States: N. p., 2017. Web. doi:10.1111/jace.14839.
Kang, Sung Gu, & Sholl, David S. First‐principles investigation of chemical stability and proton conductivity of M‐doped BaZrO 3 (M=K, Rb, and Cs). United States. doi:10.1111/jace.14839.
Kang, Sung Gu, and Sholl, David S. Mon . "First‐principles investigation of chemical stability and proton conductivity of M‐doped BaZrO 3 (M=K, Rb, and Cs)". United States. doi:10.1111/jace.14839.
@article{osti_1401295,
title = {First‐principles investigation of chemical stability and proton conductivity of M‐doped BaZrO 3 (M=K, Rb, and Cs)},
author = {Kang, Sung Gu and Sholl, David S.},
abstractNote = {},
doi = {10.1111/jace.14839},
journal = {Journal of the American Ceramic Society},
issn = {0002-7820},
number = 7,
volume = 100,
place = {United States},
year = {2017},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1111/jace.14839

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Works referenced in this record:

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976


Special points for Brillouin-zone integrations
journal, June 1976

  • Monkhorst, Hendrik J.; Pack, James D.
  • Physical Review B, Vol. 13, Issue 12, p. 5188-5192
  • DOI: 10.1103/PhysRevB.13.5188

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Ab initiomolecular dynamics for liquid metals
journal, January 1993