Origin of Low CO2 Selectivity on Platinum in the Direct Ethanol Fuel Cell

Richard Kavanagh, Xiao-Ming Cao, Wen-Feng Lin*, Christopher Hardacre, P. Hu

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

98 Citations (Scopus)
194 Downloads (Pure)

Abstract

Calculated answer: First-principles calculations have been applied to calculate the energy barrier for the key step in CO formation on a Pt surface (see picture; Pt blue, Pt atoms on step edge yellow) to understand the low CO2 selectivity in the direct ethanol fuel cell. The presence of surface oxidant species such as O (brown bar) and OH (red bar) led to an increase of the energy barrier and thus an inhibition of the key step. © 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
Original languageEnglish
Pages (from-to)1572-1575
Number of pages4
JournalAngewandte Chemie International Edition
Volume51
Issue number7
Early online date02 Jan 2012
DOIs
Publication statusPublished - 13 Feb 2012

Keywords

  • density functional calculations
  • electrochemistry
  • fuel cells
  • heterogeneous catalysis
  • platinum
  • INITIO MOLECULAR-DYNAMICS
  • ELECTROCHEMICAL MASS-SPECTROMETRY
  • CARBON-MONOXIDE
  • OXIDATION
  • TRANSITION
  • SURFACES
  • ELECTROOXIDATION
  • PT(111)
  • DISSOCIATION
  • SPECTROSCOPY

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Medicine(all)

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