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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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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 :
Guo, SY
Jenkins, SJ
Ji, W
Ning, Z
Polanyi, C
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

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