Semiclassical molecular dynamics simulation of surface processes: Application to the hydrogen atom recombination on graphite

摘要

The semiclassical collisional method has been applied to get an insight into the most basic behaviors of the H, formation after atom recombination on a graphite surface at T-S = 100 K. The scattering equations are integrated over an adiabatic potential energy surface used in a previous study. Compared with the previously obtained results at T-S = 10 K, important surface temperature effects on the recombination dynamics have been found. (c) 2005 Wiley Periodicals, Inc.