SIM-RUC
Surface & Interface Modeling
for Emerging Nanomaterials and Devices

Dynamics of Surface-Migration: Electron-Induced Reaction of 1,2-Dihaloethanes on Si(100)

Kai Huang,+ Oliver MacLean,+ Si Yue Guo,+ Iain R. McNab,# Zhanyu Ning,+ Chen-Guang Wang,+,$ Wei Ji&, and John C. Polanyi+,*

+Lash Miller Chemical Laboratories, Department of Chemistry and Institute of Optical Sciences, University of Toronto, 80 St. George Street, Toronto, Ontario, M5S 3H6, Canada

#Faculty of Applied Science and Technology, Sheridan College- Trafalgar Road Campus, 1430 Trafalgar Road, Oakville, Ontario, L6H 2L1, Canada

&Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing, 100872, People’s Republic of China

DOI:10.1016/j.susc.2016.02.001    Publication Date: Feb. 6


Abstract:

Scanning Tunneling Microscopy was used to investigate the electron-induced reaction of 1,2- dibromoethane (DBE) and 1,2-dichloroethane (DCE) on Si(100).We observed a long-lived physisorbed molecular state of DBE at 75 K and of DCE at 110 K. As a result we were able to characterize by experiment and also by ab initio theory the dynamics of ethylene production in the electron-induced surface-reaction of these physisorbed species. For both DBE and DCE the ethylene product was observed to migrate across the surface. In the case of DBE the recoil of the ethylene favored the silicon rows, migrating by an average distance of 22 Å, and up to 100 Å. Trajectory calculations were performed for this electron-induced reaction, using an ‘Impulsive Two-State’ model involving an anionic excited state and a neutral ground-potential. The model agreed with experiment in reproducing both migration and desorption of the ethylene product. The computed migration exhibited a ‘ballistic’ launch and subsequent ‘bounces’, thereby accounting for the observed long-range migratory dynamics.


Keywords:


View: Surface Science  652, 312–321 (2016)    

Special Issue: In Honor of John T. Yates Jr

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