Article ID Journal Published Year Pages File Type
5394783 Computational and Theoretical Chemistry 2012 7 Pages PDF
Abstract
►We model CO lateral interaction on Pt and Pd surfaces. ► Parameterized lattice gas model based on DFT calculations. ► CO adsorption is stronger on Pd (1 1 1) at low coverage. ► Lateral interactions drive a faster decrease of binding on Pd (1 1 1).
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
CO adsorption on Pt (1 1 1) and Pd (1 1 1) surfaces: A first-principles based lattice gas Monte-Carlo study
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