Seminar on 1 December 2022

Charles University in Prague, Department of Condensed Matter Physics
Calculating Angular Momentum of Electron Current in Molecular Junction
at 13:00 in Seminar room F052

Rotations of molecules driven by current are possible basis for construction of molecular motors. In "Geländer" molecules, the helical structure was thought to drive the momentum transfer from travelling electrons to the molecule. In the DFT based study, we explore the structure of the current density in such a molecule and identify the regions of the molecule that contribute most the angular momentum of the electron current. We also discuss the particularities of our results, especially the conservation of rotation direction under the exchange of electric bias direction.