DFT calculations of carbon monoxide adsorbed on anatase...

Molecular Simulation 2013 / 03 Vol. 39; Iss. 3

DFT calculations of carbon monoxide adsorbed on anatase TiO 2 (101) and (001) surfaces: correlation between the binding energy and the CO stretching frequency

Scaranto, Jessica, Giorgianni, Santi
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Volume:
39
Language:
english
Journal:
Molecular Simulation
DOI:
10.1080/08927022.2012.717283
Date:
March, 2013
File:
PDF, 170 KB
english, 2013
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