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Papers by Richard Alkire
Angewandte Chemie International Edition, 2011
J. Phys. Chem. B, 2008
Simulation of copper electrodeposition on an initially flat surface by a classic two-step electro... more Simulation of copper electrodeposition on an initially flat surface by a classic two-step electron transfer sequence accompanied by surface diffusion was carried out by a three-dimensional ͑3-D͒ kinetic Monte Carlo model linked to a 1-D ͑continuum͒ finite difference model. The evolution of deposit roughness was simulated numerically and compared, through use of scaling parameters, with experimental data obtained by atomic force microscopy from deposits formed under constant potential in aqueous solutions of 0.5 M Cu 2 SO 4 and 1.0 M H 2 SO 4. The model was used to carry out parametric investigations on the effect of adsorption, surface diffusion, and lattice incorporation, all of which were found to exert an influence on the evolution of surface roughness.
Journal of The Electrochemical Society, 2006
ABSTRACT Kinetic Monte Carlo simulations are used to investigate nucleation and early stages of g... more ABSTRACT Kinetic Monte Carlo simulations are used to investigate nucleation and early stages of growth during metal electrodeposition at low overpotentials, where the kinetics of attachment of atoms to the electrode surface is rate-limiting. The surface diffusion energy barriers and deposition rate constants were varied to determine their effects on the deposition of metal onto a (111)-oriented facet of a face-centered cubic substrate material. The cluster density, average cluster size, and average cluster height were obtained from simulations. Over the range of parameters investigated here, the highest cluster densities were achieved when the metal-on-substrate surface diffusion rate was low relative to the metal-on-metal surface diffusion rate. It was found that the cluster density was highest after 0.3 equivalent monolayers had been deposited. (C) 2006 The Electrochemical Society.
Angewandte Chemie International Edition, 2011
J. Phys. Chem. B, 2008
Simulation of copper electrodeposition on an initially flat surface by a classic two-step electro... more Simulation of copper electrodeposition on an initially flat surface by a classic two-step electron transfer sequence accompanied by surface diffusion was carried out by a three-dimensional ͑3-D͒ kinetic Monte Carlo model linked to a 1-D ͑continuum͒ finite difference model. The evolution of deposit roughness was simulated numerically and compared, through use of scaling parameters, with experimental data obtained by atomic force microscopy from deposits formed under constant potential in aqueous solutions of 0.5 M Cu 2 SO 4 and 1.0 M H 2 SO 4. The model was used to carry out parametric investigations on the effect of adsorption, surface diffusion, and lattice incorporation, all of which were found to exert an influence on the evolution of surface roughness.
Journal of The Electrochemical Society, 2006
ABSTRACT Kinetic Monte Carlo simulations are used to investigate nucleation and early stages of g... more ABSTRACT Kinetic Monte Carlo simulations are used to investigate nucleation and early stages of growth during metal electrodeposition at low overpotentials, where the kinetics of attachment of atoms to the electrode surface is rate-limiting. The surface diffusion energy barriers and deposition rate constants were varied to determine their effects on the deposition of metal onto a (111)-oriented facet of a face-centered cubic substrate material. The cluster density, average cluster size, and average cluster height were obtained from simulations. Over the range of parameters investigated here, the highest cluster densities were achieved when the metal-on-substrate surface diffusion rate was low relative to the metal-on-metal surface diffusion rate. It was found that the cluster density was highest after 0.3 equivalent monolayers had been deposited. (C) 2006 The Electrochemical Society.