Enhanced solar photocatalytic activity of TiO2 by selenium(IV) ion-doping: Characterization and DFT modeling of the surface

Chemical Engineering Journal

Volumn 214, Issue , 2013, Pages 34-44

  Gurkan, Yelda Y ^a,b   Kasapbasi, Esra ^a   Cinar, Zekiye ^a  

^a YILDIZ TECHNICAL UNIVERSITY   (Turkey)

^b NAMIK KEMAL UNIVERSITY   (Turkey)

Author keywords

DFT calculations; Heterogeneous photocatalysis; Se(IV) doping; Sunlight; TiO2

Indexed keywords

4-NITROPHENOL; BASIS SETS; BULK STRUCTURE; DEGRADATION RATE; DFT CALCULATION; DFT MODELING; DOPED-TIO; ELECTRONIC AND STRUCTURAL PROPERTIES; HETEROGENEOUS PHOTOCATALYSIS; ORBITALS; PHOTO CATALYTIC DEGRADATION; PHOTOCATALYTIC ACTIVITIES; STOICHIOMETRIC CLUSTERS; STRUCTURAL METHODS; SUNLIGHT; SUNLIGHT IRRADIATION; SURFACE AREA; TIO; VISIBLE LIGHT; VISIBLE LIGHT ABSORPTION; VISIBLE LIGHT ACTIVE PHOTOCATALYSTS; WET IMPREGNATION METHOD; XRD;

CALCINATION; DEGRADATION; DENSITY FUNCTIONAL THEORY; IRRADIATION; PHOTOCATALYSIS; PHOTOCATALYSTS; PHOTODEGRADATION; SELENIUM COMPOUNDS;

TITANIUM DIOXIDE;

EID: 84872020613     PISSN: 13858947     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cej.2012.10.025     Document Type: Article

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