Title of article
Modelling the butterfly: () ordering on fcc(1 1 1) surfaces
Author/Authors
Hermse، نويسنده , , C.G.M. and van Bavel، نويسنده , , A.P. and Koper، نويسنده , , M.T.M. and Lukkien، نويسنده , , J.J. and van Santen، نويسنده , , R.A. and Jansen، نويسنده , , A.P.J.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2004
Pages
14
From page
247
To page
260
Abstract
The adsorption of a bridge-bonded anion onto an fcc(1 1 1) surface is studied using kinetic Monte Carlo simulations. Different models with first neighbour shell exclusion and finite second neighbour shell lateral interactions are considered. All simulated voltammograms show one peak associated with anion adsorption in a disordered phase, and one peak related to a disorder–order transition in the adlayer. The disorder–order transition transforms the adlayer with a coverage of 0.18 ML into a ( 3 × 7 ) ordered structure with a coverage of 0.20 ML. The shape of the adsorption isotherm and the simulated voltammogram is strongly influenced by attractive or repulsive lateral interactions, as well as by the sweep rate and the presence of steps in the surface.
Keywords
Adsorption isotherms , Surface thermodynamics (including phase transitions) , Single crystal surfaces , Metal–electrolyte interfaces , Monte Carlo simulations
Journal title
Surface Science
Serial Year
2004
Journal title
Surface Science
Record number
1684932
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