Formation and migration of oxygen and zirconium vacancies in cubic zirconia and zirconium oxysulfide

Solid State Ionics

Volumn 212, Issue , 2012, Pages 117-122

  Malyi, Oleksandr I ^a   Wu, Ping ^a,b   Kulish, Vadym V ^a   Bai, Kewu ^c   Chen, Zhong ^a  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b SINGAPORE UNIVERSITY OF TECHNOLOGY AND DESIGN   (Singapore)

^c INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

Author keywords

Density functional theory; Ionic conductivity; Migration barrier; Vacancy

Indexed keywords

CHARGED OXYGEN VACANCIES; CUBIC ZIRCONIA; FORMATION ENERGIES; GAS DIFFUSION; MIGRATION AND FORMATION; MIGRATION BARRIERS; OXYGEN ATOM; OXYGEN IONIC CONDUCTIVITY; POSITIVELY CHARGED;

DENSITY FUNCTIONAL THEORY; IONIC CONDUCTIVITY; OXYGEN; SULFUR; SURFACE DEFECTS; THERMAL BARRIER COATINGS; THERMAL CONDUCTIVITY; VACANCIES; ZIRCONIA; ZIRCONIUM; ZIRCONIUM ALLOYS;

OXYGEN VACANCIES;

EID: 84862800796     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssi.2012.01.031     Document Type: Article

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