A systematic study of the surface energetics and structure of TiO2(110) by first-principles calculations

Surface Science

Volumn 385, Issue 2-3, 1997, Pages 386-394

  Bates, S P ^a   Kresse, G ^a   Gillan, M J ^a  

^a KEELE UNIVERSITY   (United Kingdom)

Author keywords

Density functional calculations; Surface structure; Titanium oxide

Indexed keywords

COMPUTATIONAL METHODS; INTERFACIAL ENERGY; MATHEMATICAL MODELS; SURFACE STRUCTURE;

DENSITY FUNCTIONAL THEORY; FIRST PRINCIPLES CALCULATIONS; SURFACE ATOMIC DISPLACEMENTS;

TITANIUM DIOXIDE;

EID: 0031197466     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00265-3     Document Type: Article

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