Current-induced mechanical torque in chiral molecular rotors

Beilstein J Nanotechnol. 2023 Jun 12:14:711-721. doi: 10.3762/bjnano.14.57. eCollection 2023.

Abstract

There has been great endeavor to engineer molecular rotors operated by an electrical current. A frequently met operation principle is the transfer of angular momentum taken from the incident flux. In this paper, we present an alternative driving agent that works also in situations where angular momentum of the incoming flux is conserved. This situation arises typically with molecular rotors that exhibit an easy axis of rotation. For quantitative analysis we investigate here a classical model where molecule and wires are represented by a rigid curved path. We demonstrate that in the presence of chirality, the rotor generically undergoes a directed motion, provided that the incident current exceeds a threshold value. Above this threshold, the corresponding rotation frequency (per incoming particle current) for helical geometries turns out to be 2πm/M1, where m/M1 is the ratio of the mass of an incident charge carrier and the mass of the helix per winding number.

Keywords: molecular junctions; molecular motors; molecular switches.

Grants and funding

F. Evers acknowledges funding from the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) through CRC 1277 subprojects A03 and B01. R. Korytár acknowledges the Czech Science foundation (project no. 22-22419S) and support of the Ministry of Education, Youth and Sports of the Czech Republic through the e-INFRA CZ (ID:90140).