• Open Access

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

Authors

  • Richard Kavanagh,

    1. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
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  • Dr. Xiao-Ming Cao,

    1. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
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  • Dr. Wen-Feng Lin,

    Corresponding author
    1. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
    • School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
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  • Prof. Christopher Hardacre,

    1. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
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  • Prof. P. Hu

    Corresponding author
    1. School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
    • School of Chemistry and Chemical Engineering, The Queen's University of Belfast, Belfast BT9 5AG (UK)
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  • We are grateful for the support and advice of Johnson Matthey and the EPSRC.

Abstract

original image

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.

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