A computational study on the adsorption and ring cleavage of para-chlorophenol on anatase TiO2 surface

Surface Science

Volumn 603, Issue 4, 2009, Pages 664-669

  Wahab, Hilal S ^a   Bredow, Thomas ^b   Aliwi, Salah M ^c  

^a UNIVERSITY OF TECHNOLOGY   (Iraq)

^b UNIVERSITY OF BONN   (Germany)

^c MINISTRY OF HIGHER EDUCATION AND SCIENTIFIC RESEARCH   (Iraq)

Author keywords

Adsorption; Chlorophenol; Photocleavage; Semiempirical methods and model calculations; Titanium oxide

Indexed keywords

ADSORPTION; ATOMIC PHYSICS; MOLECULES; NEGATIVE IONS; OXYGEN; PHENOLS; TITANIUM; TITANIUM DIOXIDE;

AROMATIC RINGS; CHLOROPHENOL; COMPUTATIONAL STUDIES; COMPUTATIONAL TECHNIQUES; DIOXETANE; PHENOLIC OXYGENS; PHOTOCLEAVAGE; RING CLEAVAGES; RING OPENINGS; SEMI-EMPIRICAL; SEMIEMPIRICAL METHODS AND MODEL CALCULATIONS; SINGLE ELECTRONS; SINGLET OXYGENS; SUPEROXIDE RADICAL ANIONS; TITANIUM ATOMS; TITANIUM OXIDE;

TITANIUM OXIDES;

EID: 60249094855     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.01.001     Document Type: Article

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