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Surface order-disorder phase transitions and percolation.

M C Giménez1, F Nieto, A J Ramirez-Pastor

  • 1Departamento de Física, Universidad Nacional de San Luis, CONICET, Chacabuco 917, D5700BWS San Luis, Argentina. cecigime@unsl.edu.ar

The Journal of Chemical Physics
|November 23, 2006
PubMed
Summary
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This study explores how surface phase transitions affect adsorbate percolation. Researchers found a clear link between lattice-gas models, temperature, and whether adsorbed particles form connected networks.

Area of Science:

  • Surface science and statistical mechanics
  • Adsorption phenomena and phase transitions
  • Computational condensed matter physics

Background:

  • Surface phase transitions are critical phenomena influencing material properties.
  • Percolation theory describes the formation of connected clusters in disordered systems.
  • Understanding adsorbate behavior is key to catalysis and materials design.

Purpose of the Study:

  • To investigate the relationship between surface order-disorder phase transitions and percolation in adsorbed systems.
  • To determine the percolation threshold (theta(c)) for various lattice-gas models.
  • To map phase diagrams showing percolating and non-percolating adlayer regions.

Main Methods:

  • Monte Carlo simulations were employed to model adsorbate behavior.

Related Experiment Videos

  • Finite-size scaling analysis was used to determine critical parameters.
  • Four lattice-gas models (monomers on honeycomb, square, triangular lattices; dimers on square lattices) with repulsive interactions were studied.

    • Main Results:

    • The percolation threshold (theta(c)) exhibits a dependence on the ratio of lateral interaction energy to thermal energy (w/k(B)T).
    • Distinct phase diagrams were generated for each lattice geometry and adsorbate size.
    • The study identified clear transitions between percolating and non-percolating adlayer states.

    Conclusions:

    • Surface order-disorder transitions significantly influence the percolating properties of adsorbed phases.
    • The interplay between lattice geometry, adsorbate size, and temperature dictates percolation behavior.
    • This research provides insights into the fundamental mechanisms governing adsorbate network formation on surfaces.