Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption

Theoretical Chemistry Accounts

Volumn 134, Issue 4, 2015, Pages

  Helali, Zeineb ^a,b   Jedidi, Abdesslem ^a,b,c   Markovits, Alexis ^a   Minot, Christian ^a   Abderrabba, Manef ^b  

^a LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^b UNIVERSITY OF CARTHAGE   (Tunisia)

^c KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

Author keywords

Charge transfer; DFT; Metal oxide interface; Reduction; SMSI; TiO2 rutile

Indexed keywords

EID: 84926634480     PISSN: 1432881X     EISSN: 14322234     Source Type: Journal    
DOI: 10.1007/s00214-015-1652-4     Document Type: Article

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