Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation

N. Vayssilov, Georgi; Mihaylov, Mihail; St. Petkov, Petko; Hadjiivanov, Konstantin; M. Neyman, Konstantin

doi:10.1021/jp208050a

Public

Reassignment of the Vibrational Spectra of Carbonates, Formates, and Related Surface Species on Ceria: A Combined Density Functional and Infrared Spectroscopy Investigation

Published in The Journal of Physical Chemistry C • Oct 5, 2011

Authors:

Georgi N. Vayssilov

Mihail Mihaylov

Petko St. Petkov

Abstract

Using a combination of state-of-the-art computational modeling and Fourier transform infrared (FTIR) spectroscopy study of the surface species formed during interaction of CO 2 or CO with activated (stoichiometric), reduced, and hydroxylated ceria, CeO 2, we assigned various experimentally observed ...

Subject

Infrared spectroscopy

Formate

Fourier transform infrared spectroscopy

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