Mechanisms of mono-vacancy and oxygen permeability in Y 2SiO 5 orthosilicate studied by first-principles calculations

Journal of the American Ceramic Society

Volumn 95, Issue 3, 2012, Pages 1093-1099

  Liu, Bin ^a,b   Wang, Jiemin ^a,b   Li, Fangzhi ^a,b   Wang, Jingyang ^a   Zhou, Yanchun ^a,c  

^a INSTITUTE OF METAL RESEARCH   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^c AEROSPACE RESEARCH INSTITUTE OF MATERIALS AND PROCESSING TECHNOLOGY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENVIRONMENT; DEFECT FORMATION ENERGIES; FIRST-PRINCIPLES CALCULATION; HIGH-ENERGY BARRIERS; LOW OXYGEN; MATERIAL SYNTHESIS; ORTHOSILICATE; OXYGEN LATTICE; OXYGEN PERMEABILITY; OXYGEN SITE; SELF-DIFFUSION; THEORETICAL SIMULATION;

CALCULATIONS; OXYGEN PERMEABLE MEMBRANES; POINT DEFECTS; SILICON COMPOUNDS; SILICON OXIDES; THERMAL BARRIER COATINGS;

OXYGEN VACANCIES;

EID: 84862789919     PISSN: 00027820     EISSN: 15512916     Source Type: Journal    
DOI: 10.1111/j.1551-2916.2011.05046.x     Document Type: Article

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