48 citations · 86 across the 5 of their papers we have counts for
5 papers
Vibrational Recognition of Adsorption Sites for Carbon Monoxide on Platinum and Platinum-Ruthenium Surfaces
Ismaila Dabo, Andrzej Wieckowski, Nicola Marzari
We have studied the vibrational properties of CO adsorbed on platinum and platinum-ruthenium surfaces using density-functional perturbation theory within the Perdew-Burke-Ernzerhof…
Simulated Dynamics of Underpotential Deposition of Cu with Sulfate on Au(111)
Gregory Brown, Per Arne Rikvold, M. A. Novotny +1
Numerical studies of lattice-gas models are well suited to describe multi-adsorbate systems. One example is the underpotential deposition of Cu on Au(111) in the presence of sulfur…
Equilibrium and nonequilibrium applications of lattice-gas models in electrochemistry
Per Arne Rikvold, Gregory Brown, M. A. Novotny +1
We discuss applications of statistical-mechanical lattice-gas models to study static and dynamic aspects of electrochemical adsorption. The strategy developed to describe specific…
Lattice-Gas Models of Adsorption in the Double Layer
P. A. Rikvold, J. Zhang, Y. -E. Sung +1
The theory of statistical-mechanical lattice-gas modeling of adsorption is reviewed and shown to be applicable to a range of electrochemical problems dominated by effective, latera…
Computational Lattice-Gas Modeling of the Electrosorption of Small Molecules and Ions
P. A. Rikvold, M. Gamboa-Aldeco, J. Zhang +4
We present two recent applications of lattice-gas modeling techniques to electrochemical adsorption on catalytically active metal substrates: urea on Pt(100) and (bi)sulfate on Rh(…