Study of phase stability and hydride diffusion mechanism of BaTiO 3 oxyhydride from first-principles

Journal of Physical Chemistry C

Volumn 118, Issue 31, 2014, Pages 17254-17259

  Zhang, Jiajia ^a,b   Gou, Gaoyang ^a   Pan, Bicai ^b  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BARIUM COMPOUNDS; CALCULATIONS; EXPERIMENTS; NEGATIVE IONS; SOLID OXIDE FUEL CELLS (SOFC);

ANION VACANCY; DIFFUSION MECHANISMS; DIFFUSION PROPERTIES; ELECTRON-DOPING; FIRST-PRINCIPLES CALCULATION; HYDRIDE ANIONS; HYDROGEN DIFFUSION; METALLICITIES;

HYDRIDES;

EID: 84905833764     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp5030334     Document Type: Article

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