CO adsorption on anatase nanocrystals: A combined experimental and periodic DFT study

Journal of Physical Chemistry C

Volumn 115, Issue 15, 2011, Pages 7694-7700

  Mino, Lorenzo ^a   Ferrari, Anna Maria ^a   Lacivita, Valentina ^a   Spoto, Giuseppe ^a   Bordiga, Silvia ^a   Zecchina, Adriano ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORBED CO; ANATASE NANOCRYSTALS; CO ADSORPTION; COMPUTATIONAL APPROACH; COMPUTATIONAL RESULTS; CROSS VALIDATION; DIPOLE DIPOLE INTERACTIONS; FT-IR SPECTRUM; LEWIS ACID; NANOPARTICLE MORPHOLOGY; PERIODIC DFT; PERIODIC DFT CALCULATION; STRETCHING FREQUENCY; VIBRATIONAL PROPERTIES;

ADSORPTION; NANOCRYSTALS; TITANIUM DIOXIDE;

PERIODIC STRUCTURES;

EID: 79954581222     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2017049     Document Type: Article

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