The role of oxygenated species in the catalytic self-coupling of MeOH on O pre-covered Au(111)
Author:
Affiliation:
1. Thomas Young Centre and Department of Chemical Engineering
2. University College London
3. London
4. UK
5. Department of Chemistry and Chemical Biology
6. Harvard University
7. Cambridge
8. USA
Abstract
Density functional theory and kinetic Monte Carlo simulation elucidate the complex pathways of methanol oxidation, as well as the role of different oxygenates in this chemistry, which is important in the valorisation of biomass.
Funder
Basic Energy Sciences
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/FD/C9FD00134D
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