Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations
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Title
Thermodynamics of hydration and oxidation in the proton conductor Gd-doped barium cerate from density functional theory calculations
Authors
Keywords
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Journal
PHYSICAL REVIEW B
Volume 85, Issue 20, Pages -
Publisher
American Physical Society (APS)
Online
2012-05-30
DOI
10.1103/physrevb.85.205137
References
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Related references
Note: Only part of the references are listed.- Non-monotonic conductivity relaxation of proton-conducting BaCe 0.85 Y 0.15 O 3−δ upon hydration and dehydration
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- (2010) Mudrika Khandelwal et al. JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
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- Atomistic Simulation of Pure and Doped BaSnO3
- (2009) Y. Z. Wang et al. Journal of Physical Chemistry C
- Rare earth oxide alloys and stacked layers: An ab initio study
- (2009) Frank Grosse et al. THIN SOLID FILMS
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- (2007) François Bottin et al. COMPUTATIONAL MATERIALS SCIENCE
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- (2007) Marc Torrent et al. COMPUTATIONAL MATERIALS SCIENCE
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