Dependence of oxygen dissociative adsorption on platinum surface structures

Dependence of oxygen dissociative adsorption on platinum surface structures

We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O inte...

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Bibliographic Details
Main Authors: Yotsuhashi, Satoshi, Yamada, Yuka, Diño, Wilson Agerico, Nakanishi, Hiroshi, Kasai, Hideaki
Format: text
Published: Animo Repository 2005
Subjects:
Oxygen—Absorption and adsorption
Platinum
Density functionals
Physics
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/4458
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Institution: De La Salle University
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Summary:We carry out density functional theory-based calculations to investigate the oxygen (O2) dissociative adsorption on two platinum (Pt) surfaces, viz., Pt(111) and Pt(001). We calculated the corresponding total energies, for varying O2 center-of-mass distances from the Pt surface, and varying O-O interatomic distances. Our calculation results show that the O2 dissociative adsorption progresses much more easily on Pt(001) than on Pt(111). These results are in good agreement with experimentally observed differences and trends in reactivities of Pt(001) and Pt(111). © 2005 The American Physical Society.

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