Pt(111)-Alloy Surfaces for Non-Activated OOH Dissociation

We present a density functional theory calculation for the adsorption and dissociation of OOH on Pt(111) and Pt(111)-alloy surfaces. We confirmed the theoretical understanding of an activated OOH dissociation on Pt(111) surface and on small Pt clusters. Interestingly, in this work, we found an exist...

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Bibliographic Details
Published in:E-journal of surface science and nanotechnology 2011/09/27, Vol.9, pp.352-356
Main Authors: Cahyanto, Wahyu Tri, Escaño, Mary Clare, Kasai, Hideaki, Arevalo, Ryan Lacdao
Format: Article
Language:English
Subjects:
Density functional theory
Molybdenum-based ternary alloys
OOH dissociation
Oxygen adsorption
Platinum
Ruthenium-based binary alloy
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Summary:We present a density functional theory calculation for the adsorption and dissociation of OOH on Pt(111) and Pt(111)-alloy surfaces. We confirmed the theoretical understanding of an activated OOH dissociation on Pt(111) surface and on small Pt clusters. Interestingly, in this work, we found an existence of a “barrierless” OOH dissociation on several Pt-binary and ternary alloy surfaces with Ru and Mo as alloying components: PtRu and PtRuMo. Here, we demonstrate how such reaction proceeds and discuss the role of Ru—O and Mo—O in the spontaneous OOH dissociation in these systems. The reaction energetics of OOH specie is one of the most sought fundamental surface science studies due to its importance in many catalytic and surface reactions such as hydrogen fuel cell. [DOI: 10.1380/ejssnt.2011.352]
ISSN:1348-0391
1348-0391
DOI:10.1380/ejssnt.2011.352