Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

G. A. Tritsaris, J. Rossmeisl

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat and stepped, which includes platinum-based alloys with ruthenium, tin, and copper, as well as nonprecious alloys, overlayer structures, and modified edges. A common lower bound on the overpotential is estimated (ca. 0.3 V). A model for bifunctional alloys is employed to investigate the nature of the active sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells.
Original languageEnglish
JournalThe Journal of Physical Chemistry Part C
Volume116
Issue number22
Pages (from-to)11980-11986
ISSN1932-7447
DOIs
Publication statusPublished - 2012

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