Combined ATR-FTIR and DFT study of cyclohexanone adsorption on hydrated TiO2 anatase surfaces

Journal of Physical Chemistry C

Volumn 115, Issue 29, 2011, Pages 14164-14172

  Almeida, Ana Rita ^a,d   Calatayud, Monica ^b,c   Tielens, Frederik ^d   Moulijn, Jacob A ^a   Mul, Guido ^a,e  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b SORBONNE UNIVERSITÉ   (France)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^d UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^e UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION FREQUENCIES; ADSORPTION ENTHALPIES; ANATASE SURFACES; ANATASE TIO; ATR FTIR; ATTENUATED TOTAL REFLECTION FOURIER TRANSFORM INFRARED; CYCLOHEXANONES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DFT CALCULATION; DFT STUDY; DIFFERENT PLANES; GOOD CORRELATIONS; INTERMEDIATE LEVEL; IRREVERSIBLE ADSORPTION; PHOTO-CATALYTIC; SURFACE HYDRATION; TIO;

ABSORPTION; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; ENTHALPY; FOURIER TRANSFORMS; HYDRATION; TITANIUM DIOXIDE;

PHYSISORPTION;

EID: 79960680646     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp1122129     Document Type: Article

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