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A Cu/Pt near-surface alloy for water-gas shift catalysis

Knudsen, Jan; Nilekar, Anand U.; Vang, Ronnie T.; Schnadt, Joachim LU ; Kunkes, Edward L.; Dumesic, James A.; Mavrikakis, Manos and Besenbacher, Flemming (2007) In Journal of the American Chemical Society 129(20). p.6485-6485
Abstract
The primary route to hydrogen production from fossil fuels involves the water-gas shift (WGS) reaction, and an improvement in the efficiency of WGS catalysts could therefore lead to a major leap forward in the realization of hydrogen economy. On the basis of a combination of high-resolution scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory (DFT) calculations, we suggest the existence of a new thermodynamically stable Cu/Pt near-surface alloy (NSA). Temperature-programmed desorption and DFT reveal that this Cu/Pt NSA binds CO significantly more weakly than does Pt alone, thereby implying a considerable reduction in the potential for CO poisoning of the Cu/Pt NSA surface as compared to that of... (More)
The primary route to hydrogen production from fossil fuels involves the water-gas shift (WGS) reaction, and an improvement in the efficiency of WGS catalysts could therefore lead to a major leap forward in the realization of hydrogen economy. On the basis of a combination of high-resolution scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory (DFT) calculations, we suggest the existence of a new thermodynamically stable Cu/Pt near-surface alloy (NSA). Temperature-programmed desorption and DFT reveal that this Cu/Pt NSA binds CO significantly more weakly than does Pt alone, thereby implying a considerable reduction in the potential for CO poisoning of the Cu/Pt NSA surface as compared to that of pure Pt. In addition, DFT calculations show that this Cu/Pt NSA is able to activate H2O easily, which is the rate-determining step for the WGS on several metal surfaces, and, at the same time, to bind the products of that reaction and formate intermediates rather weakly, thus avoiding possible poisoning of the catalyst surface. The Cu/Pt NSA is thus a promising candidate for an improved WGS catalyst. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of the American Chemical Society
volume
129
issue
20
pages
6485 - 6485
publisher
The American Chemical Society
external identifiers
  • scopus:34249043945
ISSN
1520-5126
DOI
10.1021/ja0700855
language
English
LU publication?
yes
id
e9c3d8e4-388e-42ce-ac81-85d33fb8baca (old id 631001)
date added to LUP
2007-11-28 14:09:40
date last changed
2017-09-10 04:54:18
@article{e9c3d8e4-388e-42ce-ac81-85d33fb8baca,
  abstract     = {The primary route to hydrogen production from fossil fuels involves the water-gas shift (WGS) reaction, and an improvement in the efficiency of WGS catalysts could therefore lead to a major leap forward in the realization of hydrogen economy. On the basis of a combination of high-resolution scanning tunneling microscopy, X-ray photoelectron spectroscopy, and density functional theory (DFT) calculations, we suggest the existence of a new thermodynamically stable Cu/Pt near-surface alloy (NSA). Temperature-programmed desorption and DFT reveal that this Cu/Pt NSA binds CO significantly more weakly than does Pt alone, thereby implying a considerable reduction in the potential for CO poisoning of the Cu/Pt NSA surface as compared to that of pure Pt. In addition, DFT calculations show that this Cu/Pt NSA is able to activate H2O easily, which is the rate-determining step for the WGS on several metal surfaces, and, at the same time, to bind the products of that reaction and formate intermediates rather weakly, thus avoiding possible poisoning of the catalyst surface. The Cu/Pt NSA is thus a promising candidate for an improved WGS catalyst.},
  author       = {Knudsen, Jan and Nilekar, Anand U. and Vang, Ronnie T. and Schnadt, Joachim and Kunkes, Edward L. and Dumesic, James A. and Mavrikakis, Manos and Besenbacher, Flemming},
  issn         = {1520-5126},
  language     = {eng},
  number       = {20},
  pages        = {6485--6485},
  publisher    = {The American Chemical Society},
  series       = {Journal of the American Chemical Society},
  title        = {A Cu/Pt near-surface alloy for water-gas shift catalysis},
  url          = {http://dx.doi.org/10.1021/ja0700855},
  volume       = {129},
  year         = {2007},
}