Proceedings of the 2014 International Conference on Physics

A DFT sight of oxygen and carbon monoxide coadsorption on Pt-alloy surfaces

Authors
Wahyu Tri Cahyanto, Wahyu Widanarto, Hideaki Kasai
Corresponding Author
Wahyu Tri Cahyanto
Available Online October 2014.
DOI
https://doi.org/10.2991/icp-14.2014.10How to use a DOI?
Keywords
O and CO Coadsorption; Pt-alloy surfaces; DFT; bifunctional and electronic effect.
Abstract
Coadsorption of oxygen (O) and carbon monoxide (CO) on Platinum-alloy (Pt-alloy) surfaces is investigated by using density functional theory (DFT). Simultaneous coadsorption and alloying are considered in order to get more realistic picture of the electrode condition, i.e., in relation with surface CO tolerant. Significant changes on the most stable configuration for coadsorption of O and CO on PtRu- and PtRuMo-alloy surfaces to that of individual atomic O or pure CO chemisorption are observed. It is found that the pre-covered O surface weakens the adsorption strength of CO on surfaces. However, the influence of coadsorbed O, i.e., bifunctional effect, is significant on monometallic Pt surface and reduces by alloying Pt with Ru. Further alloy with Mo forming PtRuMo causes the bifunctional effect is very similar to that of electronic effect, i.e., pure CO chemisorption on PtRuMo-alloy surfaces.
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Proceedings
International Conference on Physics 2014 (ICP-14)
Part of series
Advances in Physics Research
Publication Date
October 2014
ISBN
978-94-62520-38-7
ISSN
2352-541X
DOI
https://doi.org/10.2991/icp-14.2014.10How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Wahyu Tri Cahyanto
AU  - Wahyu Widanarto
AU  - Hideaki Kasai
PY  - 2014/10
DA  - 2014/10
TI  - A DFT sight of oxygen and carbon monoxide coadsorption on Pt-alloy surfaces
BT  - International Conference on Physics 2014 (ICP-14)
PB  - Atlantis Press
SN  - 2352-541X
UR  - https://doi.org/10.2991/icp-14.2014.10
DO  - https://doi.org/10.2991/icp-14.2014.10
ID  - Cahyanto2014/10
ER  -