Journal of Physical Chemistry B, Vol.101, No.5, 771-773, 1997
Diffusion of a Butanethiolate Molecule on a Au(111) Surface
The diffusion of a butanethiolate molecule on a Au{111} surface has been modeled by molecular dynamics simulations. We find that internal chain motion enhances diffusion over that of a heavy atom of the same mass.
Keywords:MONTE-CARLO SIMULATIONS;DYNAMICS SIMULATION;N-ALKANES;PT(111);ADSORBATES;ADSORPTION;MOTION;GOLD