CH4 dissociation on Ni(100): Comparison of a direct dynamical model to molecular beam experiments

Luntz, A. C.
May 1995
Journal of Chemical Physics;5/22/1995, Vol. 102 Issue 20, p8264
Academic Journal
This paper makes an extensive comparison of a dynamical model for a mechanism of direct dissociation to the detailed molecular beam experiments of CH4 dissociation on a Ni(100) surface reported in the previous paper. When a PES incorporating an ‘‘exit channel’’ barrier is used in the model and steric (multidimensional) aspects are included approximately via a ‘‘hole’’ approximation, excellent agreement is achieved between the model and experiments. This strengthens the qualitative mechanistic conclusions of Holmblad, Wambach, and Chorkendorff [J. Chem. Phys. 102, 8255 (1995)]. © 1995 American Institute of Physics.


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