Loughborough University
Leicestershire, UK
LE11 3TU
+44 (0)1509 263171
Loughborough University

Loughborough University Institutional Repository

Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/21371

Title: Elucidation of the surface structure-selectivity relationship in ethanol electro-oxidation over platinum by density functional theory
Authors: Sheng, Tian
Lin, Wen-Feng
Sun, Shi-Gang
Issue Date: 2016
Publisher: © Royal Society of Chemistry
Citation: 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.15501-15504
Abstract: We 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.
Description: 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.
Sponsor: This work is supported by NSFC (21361140374, 21321062 and 21573183) and EPSRC (EP/I013229/1).
Version: Published
DOI: 10.1039/C6CP02484J
URI: https://dspace.lboro.ac.uk/2134/21371
Publisher Link: http://dx.doi.org/10.1039/C6CP02484J
ISSN: 1463-9076
Appears in Collections:Published Articles (Chemical Engineering)

Files associated with this item:

File Description SizeFormat
c6cp02484j.pdfPublished version3 MBAdobe PDFView/Open

 

SFX Query

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.