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Origin of Low CO 2 Selectivity on Platinum in the Direct Ethanol Fuel Cell
Author(s) -
Kavanagh Richard,
Cao XiaoMing,
Lin WenFeng,
Hardacre Christopher,
Hu P.
Publication year - 2012
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201104990
Subject(s) - chemistry , direct ethanol fuel cell , acetaldehyde , electron transfer , selectivity , ethanol , methanol , acetic acid , redox , electrochemistry , ethanol fuel , electron , platinum , inorganic chemistry , chemical engineering , photochemistry , catalysis , organic chemistry , proton exchange membrane fuel cell , electrode , engineering , physics , quantum mechanics
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 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.