▎ 摘　　要

The atomic scale control of interface geometry and lateral width of in-plane lateral heterostructures based on 2D materials can pave the way for many nanotechnological applications. In this work, we propose a device architecture composed of spatially patterned lateral domains of MoSe2 embedded in graphene (graphene-MoSe2). We have considered four structures that combine different interface geometries. By using first-principles calculations based on density functional theory, we explored how the energetic, structural, electronic, and magnetic properties of each structure depend on the graphene and MoSe2 stripe widths. We find a variety of electronic characteristics, including spin-polarized semiconductor, nonmagnetic semiconductor, spin-polarized metallic, nonmagnetic metallic, and half-metallic behaviors, which indicate promising applications in spintronics. In addition, we investigate the adsorption of nitrogen-based molecules (NO2, NO, and NH3) for the most stable heterostructure under Mo-rich conditions. For this case, we find that the interfaces of the hybrid material play an important role on the sensing properties, leading to improved adsorption characteristics in comparison with the isolated pure graphene and MoSe2 systems. In that sense, we hope that future investigations exploring the effects of different interfaces, geometries and adsorbant concentrations may further elucidate the potential of graphene/TMD lateral heterostructures for sensing applications.