Calculation of proton conductivity at the Σ3111/11¯0 tilt grain boundary of barium zirconate using density functional theory

Published 2015 View Full Article

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Title
Calculation of proton conductivity at the Σ3111/11¯0 tilt grain boundary of barium zirconate using density functional theory
Authors
Keywords
Barium zirconate, Grain boundary, Proton conductivity, Density functional theory, Space charge layer, Structural disorder
Journal
SOLID STATE IONICS
Volume 279, Issue -, Pages 60-65
Publisher
Elsevier BV
Online
2015-08-12
DOI
10.1016/j.ssi.2015.07.018

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