title: CO adsorption on amorphous silica-alumina: electrostatic or Brønsted acidity probe?
abstract: The adsorption of CO on amorphous silica-alumina (ASA) was calculated by DFT. CO appears as a probe of the electrostatic field induced by the whole surface, at the origin of a so-called vibrational Stark effect responsible for the CO frequency shifts. Brønsted acidity of the ASA sites does not directly correlate CO frequency shifts.
authors.affiliation: IFP Energies nouvelles, Rond-point de l'échangeur de Solaize, BP3, 69360 Solaize, France.
authors.forename: Fabien
authors.initials: F
authors.lastname: Leydier
authors.forename: Céline
authors.initials: C
authors.lastname: Chizallet
authors.forename: Dominique
authors.initials: D
authors.lastname: Costa
authors.forename: Pascal
authors.initials: P
authors.lastname: Raybaud