Monte Carlo Simulation of Kinetically Limited Electrodeposition on a Surface with Metal Seed Clusters
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Timothy O. Drews
Kinetic Monte Carlo (KMC) simulations were carried out to simulate kinetic-limited electrodeposition of a metal (M) onto an array of pre-existing metal clusters on a substrate (S) of a second conducting material. Electrochemical reaction and surface diffusion were accounted for in a KMC code which tracked deposit growth with a (2+1)-dimensional approach. Beginning with various arrangements of ten-atom metal seed clusters on a substrate platform of 300 × 300 fcc lattice sites, KMC simulations were carried out to investigate the evolution of the surface morphology. The influence of the number (spacing) of pre-existing seed clusters, the applied potential, and the metal–substrate surface diffusion energy barrier were investigated. It was found that when 16 or fewer seed clusters were present on the surface prior to electrodeposition, the resulting nucleation distribution was dominated by secondary nuclei formed during deposition. For substrates with a metal–substrate surface diffusion energy barrier greater than 3.5 × 10-20 J, it was more difficult to control the uniform growth of the seed clusters owing to the nucleation of secondary clusters. At lower applied potentials it was found that larger nuclei could be grown with a more controlled size distribution because fewer secondary nuclei were formed. Furthermore, it was found that larger clusters with a more controlled size distribution can be grown when more clusters are seeded onto the surface because the deposited atoms were more likely to attach to existing clusters, than to form secondary nuclei.
© Oldenbourg Wissenschaftsverlag
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Articles in the same Issue
- Preface: Dieter Kolb zum 65. Geburtstag
- Precursor Adsorption of SbBr3 on Au(111) and Au(100) for Antimony Underpotential Deposition in a BMIBF4 Ionic Liquid – A Comparison with SbCl3
- Electroreduction of Nitrate at Copper Electrodes and Copper-PANI Composite Layers
- Potential Program Invariant Representation of Diffusion–Adsorption Related Voltammograms
- A Way for Determining the Effective Three Phase Boundary Width of Solid State Electrochemical Reactions from the Primary and Secondary Current Distribution at Microelectrodes
- Carbon Nanotubes and Electrochemistry
- Pd3Fe and Pt Monolayer-Modified Pd3Fe Electrocatalysts for Oxygen Reduction
- Electrochemical Nucleation and Growth Kinetics of Nanostructured Gold on Rotating Disc and Stationary Electrodes
- Theoretical Trends in Particle Size Effects for the Oxygen Reduction Reaction
- Metal Deposition by Inducing a Microgalvanic Cell with the Scanning Electrochemical Microscope (SECM)
- Formation of a Molecular Glue Based on the Electrochemical Reduction of 4-Hydroxyphenyldiazonium for the Attachment of Thin Sol–Gel Film on Glassy Carbon
- Confined Spatio-Temporal Chaos During Metal Electrodissolution: Simulations
- Comparative Study of Thymine Adsorption on Cu- and Ag-Adlayers on Au(111) Electrodes
- The Adsorption and Growth of Copper on As-Terminated GaAs(001): Physical Vapour versus Electrochemical Deposition
- Monte Carlo Simulation of Kinetically Limited Electrodeposition on a Surface with Metal Seed Clusters
- Normalized Differential Reflectance Spectroscopy at Polycrystalline Platinum Electrodes in Aqueous Acidic Electrolytes: Quantitative Aspects
- Hydrogen Adsorption on Activated Platinum Electrodes – An Electrochemical Impedance Spectroscopy Study
- Voltammetry and Electrocatalysis of Achromobacter Xylosoxidans Copper Nitrite Reductase on Functionalized Au(111)-Electrode Surfaces
- Electrocatalytic Trends on IB Group Metals: The Oxygen Reduction Reaction
- DFT Studies on the Nature of Coadsorbates on SO42-/Au(111)
- In Situ Scanning Tunnelling Microscopy in Ionic Liquids: Prospects and Challenges
