Molecular dynamics study of the surface diffusion of n-alkane like adsorbates: II. Role of chain stiffness

摘要: Abstract In the present study molecular dynamics calculations were utilized to simulate surface diffusion of chain like adsorbates. The main goal these was role rigidity and its influence on details mechanism such We have found that coefficient both “stiff” “floppy” adsorbates may be described by an Arrhenius expression. addition activation energy for preexponential factor describing coefficients larger than corresponding quantities chains. results compared available experimental data a good qualitative agreement between two.