About: Selectivity of Direct Ethanol Fuel Cell Dictated by a Unique Partial Oxidation Channel

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_33/w
Subject	Letter
Title	Selectivity of Direct Ethanol Fuel Cell Dictated by a Unique Partial Oxidation Channel
has manifestation of work	http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_33/101021jp074923t/m/print http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_33/101021jp074923t/m/web
related by	http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_33/101021jp074923t/authorship/2 http://hub.abes.fr/acs/periodical/jpccck/2007/volume_111/issue_33/101021jp074923t/authorship/1
Author	Wang Hui-Fang Liu Zhi-Pan
Abstract	Self-consistent periodic slab calculations based on gradient-corrected density functional theory (DFT-GGA)were conducted to investigate the potential energy diagram for ethanol oxidation over Pt(111). Ethanol oxidationon Pt is found to be dominated by an one-step concerted dehydrogenation pathway to produce acetaldehyde,which is about 600 times faster than the traditionally regarded stepwise pathways. The same mechanism istransferable to methanol oxidation but with a minor contribution. The results can help to clarify the long-standing puzzles on the selectivity of direct alcohol fuel cell over Pt.
article type	article-commentary
is part of this journal	The Journal of Physical Chemistry C

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