Tuning the Electronic and Tribological Properties of Graphene/GeSe van der Waals Heterostructures by External Electric Fields

van der Waals (vdW) heterostructures have atomically smooth interfaces, providing an innovative path for the development of the next generation of electronic devices. Among them, the interface contact characteristics are the core of the performance research of these heterostructures. In this study, the regulatory effect of an external electric field on the electronic properties and tribological behavior of graphene/GeSe vdW heterostructures was systematically explored by first-principles calculations. The research results reveal that modulating the direction and intensity of the external electric field can effectively control the interlayer distance and electronic properties of heterostructures. The application of a positive electric field induces a compressive deformation within the graphene interlayers. Conversely, a negative electric field generates an interlayer electrostatic repulsion, leading to a pronounced expansion of the interlayer distance. When the intensity of the electric field exceeds -0.15 V/Å, it is observed that the interface contact of the heterostructure changes from an ohmic contact to n-type Schottky contact. The polarization and accumulation of interlayer charges in heterostructures under the action of an electric field also have a significant impact on the coefficient of friction. These findings provide significant guidance for advanced micro-nano manufacturing technologies that require precise control of electronic and tribological properties.