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Simulations Of The Interactions Of Silicon With Carbon Nanotubes

Student Name: Fogarty, Michael
Advisor Name: Hess, Bret C.
Approval Date: 4/1/2009
Report Type: Senior Thesis
Title: Simulations Of The Interactions Of Silicon With Carbon Nanotubes
Abstract: This study examines the interaction of silicon with carbon nanotubes(CNTs) as well as graphene. In this process the diffusion properties of silicon on CNTs and graphene were modeled. Using the computer program Fireball the behaviors of these systems were studied. The diffusion barriers for silicon and carbon on the surface of graphene were shown to be 0.42 eV and 0.93 eV respectively at zero temperature. The diffusion barrier for silicon on a graphene sheet at higher temperatures is shown to be 0.36 eV. The model of diffusion of a silicon atom on a graphene sheet is shown for temperatures in the range of 500 K to 3500 K. Various rolled hexagonal-planar formations of silicon nanotubes were shown to be stable with and without a carbon nanotube inside them.
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