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Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell
journal contribution
posted on 2017-03-28, 15:55 authored by Richard J. Kavanagh, Xiao-Ming Cao, Wen-Feng LinWen-Feng Lin, Christopher Hardacre, Peijun HuCalculated 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 CO 2 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.
Funding
EPSRC.
History
School
- Aeronautical, Automotive, Chemical and Materials Engineering
Department
- Chemical Engineering
Published in
Angewandte Chemie - International EditionVolume
51Issue
7Pages
1572 - 1575Citation
KAVANAGH, R. et al., 2012. Origin of low CO2 selectivity on platinum in the direct ethanol fuel cell. Angewandte Chemie : International Edition, 51 (7), pp.1572-1575.Publisher
© Wiley-VCHVersion
- VoR (Version of Record)
Publisher statement
This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/Publication date
2012Notes
Closed access.ISSN
1433-7851eISSN
1521-3773Publisher version
Language
- en