265 citations · 3.7k across the 158 of their papers we have counts for
Showing 2011 · physics.chem-phShow all
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physics.chem-ph2011★ 24 cited
Effects of inert species in the gas phase in a model for the catalytic oxidation of CO
G. M. Buendia, P. A. Rikvold
We study by kinetic Monte Carlo simulations the catalytic oxidation of carbon monoxide on a surface in the presence of contaminants in the gas phase. The process is simulated by a…
physics.chem-ph2011★ 1 cited
Parameter Estimation by Density Functional Theory for a Lattice-gas Model of Br and Cl Chemisorption on Ag(100)
Tjipto Juwono, Ibrahim Abou Hamad, Per Arne Rikvold +1
We study Bromine and Chlorine chemisorption on a Ag(100) surface, using a lattice-gas model and the quantum-mechanical Density Functional Theory (DFT) method. In this model the Br…