title: Methane dissociation on Ni(111): a new understanding of the lattice effect.
abstract: The nature of the lattice motion during the dissociation of methane on Ni(111) is analyzed in great detail, and various models for including lattice effects are explored. It is shown that the thermal vibrations of the lattice strongly modify the reactivity, but that the lattice motion is relatively unperturbed by the incident molecule during the collision, in contrast with several earlier predictions. Based on these studies we propose a new model to describe the effects of lattice motion, which agrees well with exact quantum calculations.
authors.affiliation: Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, USA.
authors.forename: Ashwani Kumar
authors.initials: AK
authors.lastname: Tiwari
authors.forename: Sven
authors.initials: S
authors.lastname: Nave
authors.forename: Bret
authors.initials: B
authors.lastname: Jackson