THE ACTIVATED CHEMISORPTION OF METHANE ON NICKEL Ⅱ.DISSOCIATION DYNAMICS OF CH_4 ON Ni(111)SURFACE

A model LEPS potential has been developed to describe the interac-tion of methane molecule with the Ni(111)crystal face.It was found thatthere exists a barrier in the entrance channel for the dissociation process of CH_4on Ni(111).Classical trajectory calculations have been performed to study theactivated chemisorption dynamics.The initial sticking probability(S_0)can beeffectively promoted by the translational energy as well as the vibrational ener-gy.And S_0 increases with increasing the incident angle of CH_4 to the surface.Finally,a direct collisional activation mechanism is suggested for the dissocia-tion of CH_4 on Ni(111).