“Bucky Shuttle” Memory Device: Synthetic Approach and Molecular Dynamics Simulations

Thermal treatment is reported to convert finely dispersed diamond powder to multiwall carbon nanocapsules containing fullerenes such as ${\mathrm{C}}_{60}$. We investigate the internal dynamics of a related model system, consisting of a $\mathrm{K}@{\mathrm{C}}_{60}^{+}$ endohedral complex enclosed in a ${\mathrm{C}}_{480}$ nanocapsule. We show this to be a tunable two-level system, where transitions between the two states can be induced by applying an electric field between the ${\mathrm{C}}_{480}$ end caps, and discuss its potential application as a nonvolatile memory element.