A photoactive titanate with a stereochemically active Sn lone pair: Electronic and crystal structure of Sn 2TiO 4 from computational chemistry

Journal of Solid State Chemistry

Volumn 196, Issue , 2012, Pages 157-160

  Burton, Lee A ^a   Walsh, Aron ^a  

^a University of Bath Claverton Down   (United Kingdom)

Author keywords

Electronic structure; Metal oxide; Semiconductor; Water splitting

Indexed keywords

CATION MODIFICATION; CONDUCTION STATE; ELECTRONIC BAND GAPS; HYBRID DENSITY FUNCTIONAL THEORY; LONE PAIR; METAL OXIDES; OXYNITRIDES; PHOTOCATALYTIC REACTIONS; TERNARY OXIDES; TIO; TITANIA; VISIBLE LIGHT; WATER SPLITTING;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; METALLIC COMPOUNDS; NITRIDES; PHOTOCATALYSIS; POSITIVE IONS; SEMICONDUCTOR MATERIALS; TITANIUM DIOXIDE;

TIN;

EID: 84867652808     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2012.06.013     Document Type: Article

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