Schematic plot of a train of molecule gears with two hexa (4-tert-butylphenyl)benzene mounted above copper atoms (red) on top of a lead surface (yellow). (a) Top view with rotational angle θ1 and θ2. (b) Side view with rotational axes n1 and n2.

Contexts in source publication

Context 1

... experiments, the molecule-gears are either chemically or physically adsorbed on the surface. They are mounted on their rotational axle and mutually interact via van-der-Waals forces, hydrogen bonds or dipoledipole interactions -depending on the nature of the molecules. In this article, we consider the scenario shown in Fig. 1 where the gears are realized by iden-(a) tical molecules. To be specific, we chose hexa (4-tertbutylphenyl)benzene physically mounted above copper atoms (red) on top of a lead (yellow) surface. This setup has been recently shown to be a successful platform for implementing a train of molecule-gears [22]. Depending on the specific ...

Context 2

... consider the generic setup shown in Fig. 1 consisting of two molecule-gears (for simplicity, we will just call them gears from now on) on a Pb(111) surface [22]. The center-of-mass of each gear is anchored to a copper atom such that the gear rotation axis is always fixed. We further assume the distance between gears and substrate to be sufficiently large such that the ...

Context 3

... the experimental setup [22], the molecular structure in Fig. 4 (a) (see also Fig. 1 (a)) will be used as a reference (to define the orientation of a gear) and as (a) initial conformation in the MD simulations. The centerof-mass distance is taken as d CM = 1.67 nm. ...