Simulation of proton diffusion in In-doped CaZrO3

Solid State Ionics

Volumn 179, Issue 21-26, 2008, Pages 871-874

  Bilić, Ante ^a   Gale, Julian D ^a  

^a CURTIN UNIVERSITY   (Australia)

Author keywords

Density functional calculations; Diffusion; Inorganic ceramics; Kinetic Monte Carlo; Modelling; Proton conductor

Indexed keywords

PROBABILITY DENSITY FUNCTION; PROTONS;

DENSITY-FUNCTIONAL (DF); FIRST-PRINCIPLES CALCULATIONS; PROTON DIFFUSION; PROTON MOBILITY;

DENSITY FUNCTIONAL THEORY;

EID: 48349134261     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2008.01.034     Document Type: Article

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