265 citations · 3.7k across the 158 of their papers we have counts for
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Monte Carlo Simulations of the Critical Properties of a Ziff-Gulari-Barshad model of Catalytic CO Oxidation with Long-range Reactivity
C. H. Chan, P. A. Rikvold
The Ziff-Gulari-Barshad (ZGB) model, a simplified description of the oxidation of carbon monoxide (CO) on a catalyst surface, is widely used to study properties of nonequilibrium p…
Dynamics of Desorption with Lateral Diffusion
Tjipto Juwono, Per Arne Rikvold
The dynamics of desorption from a submonolayer of adsorbed atoms or ions are significantly influenced by the absence or presence of lateral diffusion of the adsorbed particles. Whe…
Effects of Lateral Diffusion on the Dynamics of Desorption
Tjipto Juwono, Ibrahim Abou Hamad, Per Arne Rikvold
The adsorbate dynamics during simultaneous action of desorption and lateral adsorbate diffusion is studied in a simple lattice-gas model by kinetic Monte Carlo simulations. It is f…
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…
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…
A New Charging Method for Li-ion Batteries: Dependence of the charging time on the Direction of an Additional Oscillating Field
I. Abou Hamad, M. A. Novotny, D. O. Wipf +1
We have recently proposed a new method for charging Li-ion batteries based on large-scale molecular dynamics studies (I. Abou Hamad et al, Phys. Chem. Chem. Phys., 12, 2740 (2010))…
A new battery-charging method suggested by molecular dynamics simulations
Ibrahim Abou Hamad, M. A. Novotny, D. Wipf +1
Based on large-scale molecular dynamics simulations, we propose a new charging method that should be capable of charging a Lithium-ion battery in a fraction of the time needed when…
Applications of Computer Simulations and Statistical Mechanics in Surface Electrochemistry
P. A. Rikvold, I. Abou Hamad, T. Juwono +2
We present a brief survey of methods that utilize computer simulations and quantum and statistical mechanics in the analysis of electrochemical systems. The methods, Molecular Dyna…
EC-FORC: A New Cyclic Voltammetry Based Method for Examining Phase Transitions and Predicting Equilibrium
Ibrahim Abou Hamad, Daniel T. Robb, Mark A. Novotny +1
We propose a new, cyclic-voltammetry based experimental technique that can not only differentiate between discontinuous and continuous phase transitions in an adsorbate layer, but…
Reply to ``Remarks on the simulation of Cl electrosorption on Ag(100) reported in Electrochimica Acta 50 (2005) 5518"
P. A. Rikvold, Th. Wandlowski, I. Abou Hamad +2
We reply to remarks by Lang and Horanyi on the meaning of the notion of "electrosorption valency" used in I. Abou Hamad et al., Electrochim. Acta 50 (2005) 5518. It is concluded th…