Miniaturization is one of the paradigms of the modern technology. It motivates researchers to create and study new materials working on the microscopic level, including functional assemblies on the nanoscale. Among the objects of such studies are the molecular machines, and, in particular, nanocars � the molecular analogues of the macroscopic cars. Unfortunately, the understanding of their operation and properties is still far from being comprehensive, making them rather exotic, but promising nanoscale materials of the future.In this work we present the theoretical studies of the mobility of the fullerene-based nanocars under the influence of the electric field. We show that the latter can induce the unidirectional rolling motion of such nanomachines. The mechanism of such a directed motion includes the nanocar-substrate charge transfer, which happens mostly in the bottom of the C60 �wheels�. This leads to quasi-constant direction of the induced dipole moment and, eventually, to the unidirectional rolling of the wheels. We also show that the rolling mechanism is energetically preferable reaction pathway and that the charge transfer is one of the main reasons of this effect.

Unidirectional rolling motion of nanocars induced by electric field

246th National Meeting (2013)

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