Origin of Low CO<sub>2</sub> Selectivity on Platinum in the Direct Ethanol Fuel Cell
| Data(s) |
13/02/2012
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|---|---|
| Resumo |
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 |
| Formato |
application/pdf |
| Identificador |
http://dx.doi.org/10.1002/anie.201104990 http://pure.qub.ac.uk/ws/files/846959/Angew%20chem%20Int%20Ed%202012%2051%201572-5.pdf |
| Idioma(s) |
eng |
| Direitos |
info:eu-repo/semantics/openAccess |
| Fonte |
Kavanagh , R , Cao , X-M , Lin , W-F , Hardacre , C & Hu , P 2012 , ' Origin of Low CO 2 Selectivity on Platinum in the Direct Ethanol Fuel Cell ' Angewandte Chemie International Edition , vol 51 , no. 7 , pp. 1572-1575 . DOI: 10.1002/anie.201104990 |
| Palavras-Chave | #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 #/dk/atira/pure/subjectarea/asjc/1500/1503 #Catalysis #/dk/atira/pure/subjectarea/asjc/1600 #Chemistry(all) #/dk/atira/pure/subjectarea/asjc/2700 #Medicine(all) |
| Tipo |
article |
