H Atom Recombination on W(001): a Semiclassical Molecular Dynamics Study.

The Eley-Rideal recombination reaction of H chemisorbed on the four-fold site of W(001) at a surface temperature TS = 500 K was studied using the fully-dimensioned semiclassical collisional model and an accurate potential energy surface for the H-W(001) system. The recombination probabilities calculated at impact energies in the range (0.05-5) eV, the energy distributions in the final states as well as other relevant collisional data are presented and discussed. [ABSTRACT FROM AUTHOR]