Combined DRIFTS and DFT Study of CO Adsorption and Segregation Modes in Pt–Sn Nanoalloys - Université de Montpellier Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry C Année : 2020

Combined DRIFTS and DFT Study of CO Adsorption and Segregation Modes in Pt–Sn Nanoalloys

Résumé

This contribution aims at rationalizing the observations made by in situ IR spectroscopy during CO adsorption over 1.8 nm Pt-Sn nanoparticles by Density Functional Theory (DFT) calculations and describing the environment and electronic properties of surface Pt atoms modified by Sn. Pt surface enrichment upon CO exposure was observed by DRIFTS (diffuse reflectance FT-IR spectroscopy) and rationalized by the theoretical calculations, which also indicated that isolated Pt was favored over Pt pairing in a Sn-rich alloy. DFT frequency calculations allowing the fine assignment of vibrational CO spectra. The results show gradual
Fichier principal
Vignette du fichier
JPHCHEM_PtSn-2020.pdf (1.49 Mo) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)

Dates et versions

hal-02773213 , version 1 (20-11-2020)

Identifiants

Citer

Qing Wang, Didier Tichit, Frédéric Meunier, Hazar Guesmi. Combined DRIFTS and DFT Study of CO Adsorption and Segregation Modes in Pt–Sn Nanoalloys. Journal of Physical Chemistry C, 2020, 124 (18), pp.9979-9989. ⟨10.1021/acs.jpcc.0c01296⟩. ⟨hal-02773213⟩
44 Consultations
388 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More