Doping effects on proton incorporation and conduction in SrZrO3

Journal of Computational Chemistry

Volumn 27, Issue 6, 2006, Pages 711-718

  Shi, Chunsheng ^a   Morinaga, Masahiko ^b  

^a TIANJIN UNIVERSITY   (China)

^b NAGOYA UNIVERSITY   (Japan)

Author keywords

Density functional theory; Doping; Perovskite type oxide; Protonic conduction; SrZrO3

Indexed keywords

ACTIVATION ENERGY; DIFFUSION; ELECTRON ENERGY LEVELS; FERMI LEVEL; GEOMETRY; HEAT CONDUCTION; HYDROGEN;

DENSITY FUNCTIONAL THEORY; DOPING; GRADIENT APPROXIMATION; PEROVSKITE-TYPE OXIDE; PROTONIC CONDUCTION;

PROTONS;

EID: 33645746296     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.20381     Document Type: Article

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