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Updated: Jul 11, 2026

Synthesis of Platinum-nickel Nanowires and Optimization for Oxygen Reduction Performance
Published on: April 27, 2018
Phase diagram of molecular oxygen adsorption on the (111) platinum surface
Xiao-Gang Wang1, Galen B Fisher
1Delphi Research Labs, Shelby Township, Michigan 48315, USA.
Abstract:
Molecular oxygen adsorption on the Pt(111) surface is studied based on ab initio computations and thermodynamics. An O2 adsorption phase diagram is determined. There are two possible chemisorbed molecular states: one at a bridge site and another one at an fcc hollow site. While some population in the bridge sites persists at all coverages, the states coexist through the intermediate coverage phases. The relative coverage of the two species on the surface is determined by the competition between the Pt lattice distortion energy (that results from O2 adsorption) and the O2 repulsion energy. Our results give a reasonable explanation for the seemingly contradictory findings in previous experimental and theoretical work.
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