Title

Dependence of oxygen dissociative adsorption on platinum surface structures

College

College of Science

Department/Unit

Physics

Document Type

Article

Source Title

Physical Review B - Condensed Matter and Materials Physics

Volume

72

Issue

3

Publication Date

7-15-2005

Abstract

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.

html

Digitial Object Identifier (DOI)

10.1103/PhysRevB.72.033415

Disciplines

Physics

Keywords

Oxygen—Absorption and adsorption; Platinum; Density functionals

Upload File

wf_no

This document is currently not available here.

Share

COinS