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1 paper

cond-mat.stat-mech2004

Phase Diagram And Adsorption-Desorption Kinetics Of CO On Ru(0001): Present Limitations Of A First Principles Approach

J. -S. McEwen, A. Eichler

A lattice gas model is used to study the equilibrium properties and desorption kinetics of CO on Ru(0001). With interactions obtained from density functional theory (DFT) the phase…