Assembling small fullerenes: a molecular dynamics study

摘要

Using tight-binding molecular dynamics, we have performed two series of computer experiments assembling small fullerenes: first, we have simulated the deposition of C_(28) 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 C_(28) solids.