Diffusion of particles over dynamically disordered lattice
文献信息
A. Tarasenko, L. Jastrabik
Using kinetic Monte Carlo simulations we have investigated the diffusion of particles over a lattice with moving atoms in the framework of a simple lattice-gas model of a reconstructive surface. The particle migration over the static and dynamic lattices differs considerably. The dynamic lattice reconstruction changes substantially the particle diffusion coefficient. The Arrhenius dependencies are quantitatively different. An interesting peculiarity of the particle migration is the formation of defectons — local lattice deformations around the adsorbed particles. In certain ranges of the system parameters (jump rates of the substrate atoms and adsorbed particles) the adsorbed particles cause local displacements of the nearest substrate atoms, resulting in deeper adsorption sites and lower jump rates. Such particle self-trapping produces a characteristic minimum on the Arrhenius dependencies.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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