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Steps Control the Dissociation of CO2 on Cu(100)

Hagman, Benjamin LU ; Posada-Borbón, Alvaro; Schaefer, Andreas LU ; Shipilin, Mikhail LU ; Zhang, Chu LU ; Merte, Lindsay R. LU ; Hellman, Anders; Lundgren, Edvin LU ; Grönbeck, Henrik and Gustafson, Johan LU (2018) In Journal of the American Chemical Society 140(40). p.12974-12979
Abstract

CO2 reduction reactions, which provide one route to limit the emission of this greenhouse gas, are commonly performed over Cu-based catalysts. Here, we use ambient pressure X-ray photoelectron spectroscopy together with density functional theory to obtain an atomistic understanding of the dissociative adsorption of CO2 on Cu(100). We find that the process is dominated by the presence of steps, which promote both a lowering of the dissociation barrier and an efficient separation between adsorbed O and CO, reducing the probability for recombination. The identification of steps as sites for efficient CO2 dissociation provides an understanding that can be used in the design of future CO2 reduction... (More)

CO2 reduction reactions, which provide one route to limit the emission of this greenhouse gas, are commonly performed over Cu-based catalysts. Here, we use ambient pressure X-ray photoelectron spectroscopy together with density functional theory to obtain an atomistic understanding of the dissociative adsorption of CO2 on Cu(100). We find that the process is dominated by the presence of steps, which promote both a lowering of the dissociation barrier and an efficient separation between adsorbed O and CO, reducing the probability for recombination. The identification of steps as sites for efficient CO2 dissociation provides an understanding that can be used in the design of future CO2 reduction catalysts.

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Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of the American Chemical Society
volume
140
issue
40
pages
6 pages
publisher
The American Chemical Society
external identifiers
  • scopus:85054366743
ISSN
0002-7863
DOI
10.1021/jacs.8b07906
language
English
LU publication?
yes
id
f56bb0e3-3407-4604-818e-110c9d21fe6e
date added to LUP
2018-10-30 13:02:58
date last changed
2019-03-19 04:01:47
@article{f56bb0e3-3407-4604-818e-110c9d21fe6e,
  abstract     = {<p>CO<sub>2</sub> reduction reactions, which provide one route to limit the emission of this greenhouse gas, are commonly performed over Cu-based catalysts. Here, we use ambient pressure X-ray photoelectron spectroscopy together with density functional theory to obtain an atomistic understanding of the dissociative adsorption of CO<sub>2</sub> on Cu(100). We find that the process is dominated by the presence of steps, which promote both a lowering of the dissociation barrier and an efficient separation between adsorbed O and CO, reducing the probability for recombination. The identification of steps as sites for efficient CO<sub>2</sub> dissociation provides an understanding that can be used in the design of future CO<sub>2</sub> reduction catalysts.</p>},
  author       = {Hagman, Benjamin and Posada-Borbón, Alvaro and Schaefer, Andreas and Shipilin, Mikhail and Zhang, Chu and Merte, Lindsay R. and Hellman, Anders and Lundgren, Edvin and Grönbeck, Henrik and Gustafson, Johan},
  issn         = {0002-7863},
  language     = {eng},
  number       = {40},
  pages        = {12974--12979},
  publisher    = {The American Chemical Society},
  series       = {Journal of the American Chemical Society},
  title        = {Steps Control the Dissociation of CO<sub>2</sub> on Cu(100)},
  url          = {http://dx.doi.org/10.1021/jacs.8b07906},
  volume       = {140},
  year         = {2018},
}