A periodic DFT study of water and ammonia adsorption on anatase TiO2 (001) slab

Surface Science

Volumn 604, Issue 11-12, 2010, Pages 1029-1033

  Erdogan, Rezan ^a   Ozbek, Olus ^a,b   Onal, Isik ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

^b EINDHOVEN UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

Ammonia adsorption; Anatase; DFT; Water

Indexed keywords

ADSORBED WATER; AMMONIA ADSORPTION; AMMONIA MOLECULES; ANATASE TIO; MOLECULAR AND DISSOCIATIVE ADSORPTION; OPTIMIZED GEOMETRIES; PERIODIC DFT; VIBRATION FREQUENCY;

AMMONIA; DEWATERING; DISSOCIATION; TITANIUM DIOXIDE;

GAS ADSORPTION;

EID: 77951257477     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2010.03.016     Document Type: Article

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