CO-induced Pd segregation and the effect of subsurface Pd on CO adsorption on CuPd surfaces
Issue Date
1-2017
Abstract
We report results of our study on the adsorption of CO on CuPd surfaces with bulk stoichiometric and nonstoichiometric layers using density functional theory (DFT). We found that the presence of Pd atoms in the subsurface layer promotes the adsorption of CO. We also observed CO-induced Pd segregation on the CuPd surface and we attribute this to the strong CO-Pd interaction. Lastly, we showed that the adsorption of CO promotes Pd-Pd interaction as compared to the pristine surface which promotes strong Cu-Pd interaction. These results indicate that CO adsorption on CuPd surfaces can be tuned by taking advantage of the CO-induced segregation and by considering the role of subsurface Pd atoms.
Source or Periodical Title
Journal of Physics Condensed Matter
ISSN
0953-8984
Volume
29
Issue
2
Document Type
Article
Language
English
Subject
adsorbate on surfaces, adsorbate-induced surface segregation, carbon monoxide adsorption, density functional theory
Recommended Citation
Padama A.A.B., Villaos R.A.B., Albia J.R., Diño W.A., Nakanishi H., Kasai H. (2017). CO-induced Pd segregation and the effect of subsurface Pd on CO adsorption on CuPd surfaces. Journal of Physics Condensed Matter, 29(2).
Identifier
doi: 10.1088/0953-8984/29/2/025005.
Digital Copy
yes