Elucidation of the surface structure-selectivity relationship in ethanol electro-oxidation over platinum by density functional theory
journal contribution
posted on 2016-05-26, 13:21 authored by Tian Sheng, Wen-Feng LinWen-Feng Lin, Shi-Gang SunWe have successfully built a general framework to comprehend the structure-selectivity relationship in ethanol electrooxidation on platinum by density functional theory calculations. Based on the reaction mechanisms on three basal planes and five stepped surfaces, it was found that only (110) and n(111) × (110) sites can enhance CO2 selectivity but other non-selective step sites are more beneficial to activity.
Funding
This work is supported by NSFC (21361140374, 21321062 and 21573183) and EPSRC (EP/I013229/1).
History
School
- Aeronautical, Automotive, Chemical and Materials Engineering
Department
- Chemical Engineering
Published in
Physical chemistry chemical physics : PCCPCitation
SHENG, T., LIN, W-F. and SUN, S-G., 2016. Elucidation of the surface structure-selectivity relationship in ethanol electro-oxidation over platinum by density functional theory. Physical Chemistry Chemical Physics, 18 (23), pp.15501-15504Publisher
© Royal Society of ChemistryVersion
- VoR (Version of Record)
Publisher statement
This work is made available according to the conditions of the Creative Commons Attribution 3.0 International (CC BY 3.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by/3.0/Publication date
2016Notes
This article was published by the Royal Society of Chemistry as an Open Access article. It is licensed under a Creative Commons Attribution 3.0 Unported Licence.ISSN
1463-9076eISSN
1463-9084Publisher version
Language
- en
