▎ 摘　　要

As a typical two-dimensional (2D) coating material, graphene has been utilized to effectively reduce secondary electron emission from the surface. Nevertheless, the microscopic mechanism and the dominant factor of secondary electron emission suppression remain controversial. Since traditional models rely on the data of experimental bulk properties which are scarcely appropriate to the 2D coating situation, this paper presents the first-principles-based numerical calculations of the electron interaction and emission process for monolayer and multilayer graphene on silicon (111) substrate. By using the anisotropic energy loss for the coating graphene, the electron transport process can be described more realistically. The real physical electron interactions, including the elastic scattering of electron-nucleus, inelastic scattering of the electron-extranuclear electron, and electron-phonon effect, are considered and calculated by using the Monte Carlo method. The energy level transition theory-based first-principles method and the full Penn algorithm are used to calculate the energy loss function during the inelastic scattering. Variations of the energy loss function and interface electron density differences for 1 to 4 layer graphene coating GoSi are calculated, and their inner electron distributions and secondary electron emissions are analyzed. Simulation results demonstrate that the dominant factor of the inhibiting of secondary electron yield (SEY) of GoSi is to induce the deeper electrons in the internal scattering process. In contrast, a low surface potential barrier due to the positive deviation of electron density difference at monolayer GoSi interface in turn weakens the suppression of secondary electron emission of the graphene layer. Only when the graphene layer number is 3, does the contribution of surface work function to the secondary electron emission suppression appear to be slightly positive.