Based on nonequilibrium molecular dynamics (NEMD) and nonequilibrium Green’s function simulations, the interfacial thermal conductance (ITC) of graphene/h-BN in-plane heterostructures with near-interface defects (monovacancy defects, 585 and f5f7 double-vacancy defects) is studied. Compared to pristine graphene/h-BN, all near-interface defects reduce the ITC of graphene/h-BN. However, differences in defective structures and the wrinkles induced by the defects cause significant discrepancies in heat transfer for defective graphene/h-BN. The stronger phonon scattering and phonon localization caused by the wider cross-section in defects and the larger wrinkles result in the double-vacancy defects having stronger energy hindrance effects than the monovacancy defects. In addition, the approximate cross-sections and wrinkles induced by the 585 and f5f7 double-vacancy defects provide approximate heat hindrance capability. The phonon transmission and vibrational density of states (VDOS) further confirm the above results. The double-vacancy defects in the near-interface region have lower low-frequency phonon transmission and VDOS values than the monovacancy defects, while the 585 and f5f7 double-vacancy defects have similar low-frequency phonon transmission and VDOS values at the near-interface region. This study provides physical insight into the thermal transport mechanisms in graphene/h-BN in-plane heterostructures with near-interface defects and provides design guidelines for related devices.

Current methods for the protection of metal surfaces utilize harsh chemical processes, such as organic paint or electro-plating, which are not environment-friendly and require extensive waste treatments. In this study, a two-step approach consisting of electrochemical assisted deposition (EAD) of an aqueous silane solution and a dip coating of a low surface energy silane for obtaining a superhydrophobic self-cleaning surface for the enhanced protection of copper substrate is presented. A porous and hierarchical micro-nanostructured silica basecoat (sol-gel) was first formed by EAD of a methyltriethoxysilane (MTES) precursor solution on a copper substrate. Then, a superhydrophobic top-coat (E-MTES/PFOTS) was prepared with 1H,1H,2H,2H-Perfluorooctyltriethoxysilane (PFOTS) for low surface energy. The superhydrophobic coating exhibited anti-stain properties against milk, cola, and oil, with contact angles of 151°, 151.5°, and 129°, respectively. The EAD deposition potential and duration were effective in controlling the microscopic morphology, surface roughness, and coating thickness. The E-MTES/PFOTS coatings exhibited chemical stability against acids, bases, and abrasion resistance by sandpaper. The proposed 2-layer coating system exhibited strong chemical bonding at the two interfaces and provided a brush-like surface morphology with long-lasting superhydrophobicity. The developed method would provide an environment-friendly and expedient process for uniform protective coatings on complex surfaces.