Theoretical modeling of photocatalytic active species on illuminated TiO 2

Applied Surface Science

Volumn 254, Issue 1 SPEC. ISS., 2007, Pages 32-35

  Belelli, Patricia G ^a   Ferullo, Ricardo M ^a   Branda, María M ^a   Castellani, Norberto J ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

Author keywords

Anatase structure; DFT; Reactive species; Theoretical approach; TiO 2 photocatalyst

Indexed keywords

CHEMISORPTION; ELECTRONIC STRUCTURE; ELECTRONS; OPTIMIZATION; PHOTOCATALYSIS; SPIN DYNAMICS;

CLUSTER RELAXATION; HYDROXYL GROUP; NON-DISSOCIATIVE CHEMISORPTION; SPIN DISTRIBUTION;

TITANIUM DIOXIDE;

EID: 35148831296     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2007.07.027     Document Type: Article

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