Chemistry, Vol 13, No 2 (2020)

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.