148 citations · 313 across the 4 of their papers we have counts for
4 papers
Diffusion of Pt dimers on Pt(111)
Ghyslain Boisvert, Laurent J. Lewis
We report the results of a density-functional study of the diffusion of Pt dimers on the (111) surface of Pt. The calculated activation energy of 0.37 eV is in {\em exact} agreemen…
Surface diffusion coefficients by thermodynamic integration: Cu on Cu(100)
Ghyslain Boisvert, Normand Mousseau, Laurent J. Lewis
The rate of diffusion of a Cu adatom on the Cu(100) surface is calculated using thermodynamic integration within the transition state theory. The results are found to be in excelle…
Island morphology and adatom self-diffusion on Pt(111)
Ghyslain Boisvert, Laurent J. Lewis, Matthias Scheffler
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an a…
Self-diffusion of adatoms, dimers, and vacancies on Cu(100)
Ghyslain Boisvert, Laurent J. Lewis
We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vac…