The paper studies the mechanical force adjusting the bonding orientation with respect to the molecule to regulate electronic transport in single-molecule devices by using first-principle calculations. We designed molecular junctions by connecting tetraphenylene molecules to gold electrodes via amino or pyridine anchoring groups. By applying horizontal compressive force, the bonding orientation angle was adjusted from 0° to 45°, and the corresponding current-voltage characteristics were calculated. For the single-molecule device connected to g...
