Article ID Journal Published Year Pages File Type
5422756 Surface Science 2011 10 Pages PDF
Abstract
► Oxygen coverage on Pt using atomic-level Grand Canonical Monte Carlo simulations. ► ReaxFF empirical reactive force field to model platinum/oxygen interactions. ► O2 indirect dissociative adsorption energy barrier increases linearly with coverage. ► High coverages cause the formation of Pt adatoms.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)
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