Repulsion-Induced Surface-Migration by Ballistics and Bounce

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• 作者：Si Yue Guo ; Stephen J. Jenkins ; Wei Ji ; Zhanyu Ning ; John C. Polanyi ; Marco Sacchi ; Chen-Guang Wang
• 刊名：The Journal of Physical Chemistry Letters
• 出版年：2015
• 出版时间：October 15, 2015
• 年：2015
• 卷：6
• 期：20
• 页码：4093-4098
• 全文大小：373K
• ISSN：1948-7185

文摘

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 鈥榖allistic鈥?motion that causes the molecule to leave the ab initio slab of the surface traveling 3鈥? 脜 above it out of range of its roughness, and thereafter skipping-stone 鈥榖ounces鈥?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).