First-principles study of hydrogen diffusion in α - Al2O3 and liquid alumina

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 2, 2004, Pages

  Belonoshko, A B ^a,b   Rosengren, A ^a   Dong, Q ^b   Hultquist, G ^b   Leygraf, C ^b  

^a ALBANOVA UNIVERSITY CENTER   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM OXIDE; HYDROGEN;

AB INITIO CALCULATION; ARTICLE; CORROSION; DENSITY FUNCTIONAL THEORY; DIFFUSION; ENERGY TRANSFER; MOLECULAR DYNAMICS; TEMPERATURE DEPENDENCE;

EID: 1442288069     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.024302     Document Type: Article

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