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Assembling Small Fullerenes: A Molecular Dynamics Study

Published online by Cambridge University Press:  10 February 2011

Giulia Gallic,
Andrew Canning and
Jeongnim Kim
Giulia Gallic
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.ch
Andrew Canning
Affiliation:
Institut Romand de Recherche Numérique en Physique des Matériaux (IRRMA), Ecublens, 1015 Lausanne, Switzerland, galli@irrma.epfl.chNERSC, Lawrence Berkeley Laboratory, Berkeley CA94720.
Jeongnim Kim
Affiliation:
Department of Physics, The Ohio State University, Columbus OH 43210.
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Abstract

Using tight-binding molecular dynamics, we have performed two series of computer experiments assembling small fullerenes: first, we have simulated the deposition of C28 clusters on a semiconducting surface, and then we have performed calculations mimicking the gas phase growth of a small fullerene solid. The results of the two computations are discussed and compared to those obtained for ordered forms of C28 solids.

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