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Solid State Ionics

Volumn 230, Issue C, 2013, Pages 21-26

First principles calculations Of (Ba,Sr)(Co,Fe)O3-δ structural stability

(4) Kuklja, M M a Mastrikov, Yu A b Jansang, B a Kotomin, E A b,c

a UNIVERSITY OF MARYLAND (United States)

b UNIVERSITY OF LATVIA (Latvia)

c MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG (Germany)

Author keywords

Defects; Density functional theory; Disorder; Oxygen permeation membranes; Phase decomposition; Solid oxide fuel cells

Indexed keywords

CALCULATIONS; CERAMIC MATERIALS; CERAMIC MEMBRANES; DEFECTS; DENSITY FUNCTIONAL THEORY; GRAIN BOUNDARIES; OXYGEN; PERMEATION; PEROVSKITE; POINT DEFECTS; SOLID OXIDE FUEL CELLS (SOFC); STABILITY;

DISORDER; FIRST PRINCIPLES TOTAL ENERGY CALCULATIONS; FIRST-PRINCIPLES CALCULATION; OXYGEN NON-STOICHIOMETRY; OXYGEN PERMEATION MEMBRANES; PERMEATION MEMBRANES; PHASE DECOMPOSITIONS; STRUCTURAL STABILITIES;

SOLID SOLUTIONS;

EID: 85027924550 PISSN: 01672738 EISSN: None Source Type: Journal
DOI: 10.1016/j.ssi.2012.08.022 Document Type: Article

Times cited : (18)

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