Repulsion-Induced Surface-Migration, by Ballistics and Bounce

Guo, SY, Jenkins, SJ, Ji, W, Ning, Z, Polanyi, C, Sacchi, M and Wang, C-G (2015) Repulsion-Induced Surface-Migration, by Ballistics and Bounce The Journal of Physical Chemistry Letters, 6 (20). pp. 4093-4098.

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Abstract

The motion of adsorbate molecules across surfaces is fundamental to self-assembly, material growth, and heterogeneous catalysis. Recent Scanning Tunneling Microscopy studies have demonstrated the electron-induced long-range surface-migration of ethylene, benzene, and related molecules, moving tens of Angstroms across Si(100). We present a model of the previously unexplained long-range recoil of chemisorbed ethylene across the surface of silicon. The molecular dynamics reveal two key elements for directed long-range migration: first ‘ballistic’ motion that causes the molecule to leave the ab initio slab of the surface traveling 3–8 Å above it out of range of its roughness, and thereafter skipping-stone ‘bounces’ that transport it further to the observed long distances. Using a previously tested Impulsive Two-State model, we predict comparable long-range recoil of atomic chlorine following electron-induced dissociation of chlorophenyl chemisorbed at Cu(110).

Item Type:	Article
Subjects :	Chemistry
Divisions :	Surrey research (other units)
Authors :	Name Email ORCID Guo, SY Jenkins, SJ Ji, W Ning, Z Polanyi, C Sacchi, M m.sacchi@surrey.ac.uk Wang, C-G
Date :	25 September 2015
DOI :	10.1021/acs.jpclett.5b01829
Copyright Disclaimer :	© 2015 American Chemical Society
Uncontrolled Keywords :	Ab initio calculations, Molecular dynamics, Surface chemistry, Surface-migration
Depositing User :	Symplectic Elements
Date Deposited :	17 May 2017 13:55
Last Modified :	25 Jan 2020 00:30
URI:	http://epubs.surrey.ac.uk/id/eprint/840853

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