Spectroscopic Characteristics of the Methanol Decomposition Intermediates on a Platinum Nanocluster
Svetlana S. Laletina, Aleksey M. Shor, Vladimir A. Nasluzov, Elena A. Ivanova-Shor, Anatoly I. Rubaylo
Abstract
The density functional method was used to study vibrational frequencies of the surface species involved in the reaction of the methanol dehydration via pathway CH3OH→CH3O→CH2O→CHO→СО on a ideal Pt(111) surface and surface of nanoparticle Pt79. Connection of spectral features with stability and coordination of the adsorbed molecules was discussed. The determined vibrational features enable identification of the main reaction intermediates.