A Molecular Rotor Driven by an Electric Field on Graphene.

ABSTRACT: We propose a scheme for driving a dipolar molecular rotor to rotate continuously by applying an external electric field: the dipolar rotor is fixed on a graphene sheet via a metal atom to facilitate the free rotation; it is in the meantime subjected to an electric field oriented parallel to the graphene sheet. We use computational modeling with density functional theory and Newtonian mechanics, similar to molecular dynamics simulations, to obtain the torque, angular velocity, and rotation period of the rotor. Our results show that the dipolar rotor designed here can rotate with a period of 2.96 ps by an alternating rectangular electric field with a strength of 0.5 V/Å. However, a cosine wave alternating electric field depending on time cannot drive the dipolar rotor to rotate regularly. Th

SUBMITTER: Lin W 

PROVIDER: S-EPMC12444499 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature