AVS 50th International Symposium
    Surface Science Wednesday Sessions
       Session SS+OF-WeA

Paper SS+OF-WeA9
Molecular Dynamics Simulation Study of Continuous C@sub 3@F@sub 5@@super +@ and CF@sub 3@@super +@ Ion Depositions on Polystyrene Surfaces

Wednesday, November 5, 2003, 4:40 pm, Room 327

Session: Growth and Characterization of Organic Films
Presenter: I. Jang, University of Florida
Authors: I. Jang, University of Florida
S.B. Sinnott, University of Florida
Correspondent: Click to Email
Fluorocarbon plasma treatment is widely studied and used to change surface properties and to grow thin polymer films. However, it is difficult to determine the detailed mechanisms responsible for the surface reactions that lead to thin film growth due to the complexity of plasma systems. Computer simulations of the deposition of mass selected fluorocarbon ions have been used to isolate the effects of polyatomic ions in low energy plasma deposition of thin films. In this study, the continuous deposition of a beam of polyatomic fluorocarbon ions (C@sub 3@F@sub 5@@super +@ and CF@sub 3@@super +@) on polystyrene surfaces is performed using classical molecular dynamics simulations. The forces are determined using the reactive empirical bond order method for short-range interaction and Lennard-Jones potential for long-range van der Waals interaction. The incident energy of the ions is 50 eV/ion and they are deposited normal to polystyrene surface. The simulations allow us to determine the mechanisms responsible for thin-film growth and surface modification by the ion beam deposition. Specifically, they show how fluorocarbon polymer precursors are formed and react with one another. Overall, the simulations predict that CF@sub 3@@super +@ depositions are more effective in fluorination of polystyrene surface than C@sub 3@F@sub 5@@super +@ depositions. This work is supported by the NSF under grant CHE-0200838.