Rebecca A Cantrell

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The tendency for C(60) nanowires to persist on two monolayers of recumbent pentacene is studied using molecular dynamics (MD) simulations. A review of existing experimental literature for the tilt angle adopted by pentacene on noble metal surfaces shows that studies cover a limited range from 55° to 90°, motivating simulation studies of essentially the(More)
A novel multilattice kinetic Monte Carlo algorithm is developed for heteroepitactical growth of a hexagonal lattice material (C60) on an oblique lattice material (pentacene). This algorithm captures the behavior of single molecule and small clusters of C60 molecules diffusing, clustering, and reorganizing as monolayers on the surface and switching lattices(More)
We apply multiscale methods to describe the strained growth of multiple layers of C60 on a thin film of pentacene. We study this growth in the presence of a monolayer pentacene step to compare our simulations to recent experimental studies by Breuer and Witte of submonolayer growth in the presence of monolayer steps. The molecular-level details of this(More)
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