Effect of coadsorption and Ru alloying on the adsorption of CO on Pt

B. C. Han and G. Ceder
Phys. Rev. B 74, 205418 – Published 16 November 2006

Abstract

We present a study of the factors that influence the adsorption of CO on a Pt(111) surface. Coadsorption of O and OH, as well as alloying of Ru is investigated. We find that coadsorption of CO either with O or OH on Pt weakens the strength of the Pt-CO bond, through a largely strain mediated interaction. Alloying Pt with Ru on the surface only slightly enhances the adsorption energy of CO relative to that of pure Pt. However, once Ru is oxidized by O or OH the adsorption energy of CO on a neighboring Pt is dramatically reduced. These findings as well as some information on the competitive adsorption behavior are discussed in the context of designing CO-tolerant Pt catalysts.

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  • Received 5 June 2006

DOI:https://doi.org/10.1103/PhysRevB.74.205418

©2006 American Physical Society

Authors & Affiliations

B. C. Han and G. Ceder*

  • Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA

  • *Corresponding author. Email address: gceder@mit.edu

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Issue

Vol. 74, Iss. 20 — 15 November 2006

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