Coadsorption of Copper and Sulfate on Au(111) Electrodes: Monte-Carlo Simulation of a Lattice-Gas Model

@article{Zhang1995CoadsorptionOC,
title={Coadsorption of Copper and Sulfate on Au(111) Electrodes: Monte-Carlo Simulation of a Lattice-Gas Model},
author={J. Zhang and Per Arne Rikvold and Yung‐Eun Sung and Andrzej Wiȩckowski},
journal={arXiv: Condensed Matter},
year={1995},
pages={122-128}
}

We report ground-state calculations and Monte Carlo simulations for a lattice-gas model of the underpotential deposition of copper on Au(111) in sulfate-containing electrolytes. In a potential range of approximately 100~150 mV, this system exhibits a
$$\left( {\sqrt {3} {\mkern 1mu} \times {\mkern 1mu} \sqrt {3} } \right)$$
mixed phase with 2/3 monolayer (ML) copper and 1/3 ML sulfate. Our simulation results agree well with experimental results and with other theoretical work.

The atomic structure of ordered Cu adsorbate layers on Au(111) and Au(100) electrode surfaces and of the clean substrates was resolved in scanning tunneling microscopy images taken in situ, showing increasingly repulsive interactions between closely spaced Cu adatoms.Expand

We extend the classification of continuous order-disorder transitions in adsorbed systems to encompass additional situations of physical interest. Among these are transitions on substrate arrays… Expand