Journal of Siberian Federal University. Chemistry / Spectroscopic Characteristics of the Methanol Decomposition Intermediates on a Platinum Nanocluster

Full text (.pdf)
Issue
Journal of Siberian Federal University. Chemistry. 2020 13 (2)
Authors
Laletina, Svetlana S.; Shor, Aleksey M.; Nasluzov, Vladimir A.; Ivanova-Shor, Elena A.; Rubaylo
Contact information
Laletina, Svetlana S.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; ; Shor, Aleksey M.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; Nasluzov, Vladimir A.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; Ivanova-Shor, Elena A.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation; Rubaylo, Anatoly I.: Institute of Chemistry and Chemical Technology SB RAS FRC «Krasnoyarsk Science Center SB RAS» Krasnoyarsk, Russian Federation
Keywords
DFT method; Pt surface and nanoparticles; methanol; dehydrogenation; intermediates; vibrational frequencies
Abstract

The density functional method was used to study vibrational frequenciesof the surface species involved in the reaction of the methanol dehydration via pathway CH₃OH→CH₃O→CH₂O→CHO→СОon 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 themain reaction intermediates

Pages
273-282
DOI
10.17516/1998-2836-0181
Paper at repository of SibFU
http://elib.sfu-kras.ru/handle/2311/135404