The preparation of vertical heterojunction structures using low dimensional films combined with strong light-absorption bulk material has dramatically accelerated the development of next-generation photovoltaic systems. Among the transition metal dichalcogenides, molybdenum disulfide (MoS₂) exhibits enormous potential for light-matter interactions and band nesting in photovoltaic devices, improving the absorption of photons and the generation of electron hole pairs. Unfortunately, the lateral scale of MoS₂ prepared by traditional methods is in the order of a few micrometers, which severely limits its industrial application. In this work, a novel method to synthesize MoS₂ monolayers on a large scale by directly sulfurizing molybdenum foil is presented. This method allows precise control of the layer number as well as the nondestructive transference of MoS₂ monolayers on various substrates. In this work, MoS₂ monolayers with optimized layer numbers are inserted at the graphene/n-Si interface and function as photon absorption and interfacial band engineering layers. This dramatically enhances the photovoltaic conversion efficiency of Schottky junction solar cells based on graphene. Finally, relatively high conversion efficiency of ~12% is successfully achieved in the heterojunction solar cells based on 2D materials. This work provides a promising new approach to obtaining 2D materials on a large scale, with potential for application in next-generation photovoltaic devices.

使用低维薄膜结合强吸光体材料制备垂直异质结结构极大地加速了下一代光伏系统的发展。在过渡金属二硫属化物中，二硫化钼 (MoS ₂ ) 在光伏器件中的光-物质相互作用和能带嵌套方面表现出巨大的潜力，可改善光子的吸收和电子空穴对的产生。遗憾的是，传统方法制备的MoS ₂的横向尺度只有几微米，严重限制了其工业应用。在这项工作中，一种合成 MoS ₂的新方法介绍了直接硫化钼箔的大规模单层膜。该方法允许精确控制层数以及 MoS ₂单层在各种基材上的非破坏性转移。在这项工作中，MoS ₂具有优化层数的单层被插入石墨烯/n-Si 界面，并用作光子吸收和界面带工程层。这极大地提高了基于石墨烯的肖特基结太阳能电池的光伏转换效率。最后，基于二维材料的异质结太阳能电池成功实现了~12%的相对高转换效率。这项工作为大规模获得二维材料提供了一种有前景的新方法，具有在下一代光伏器件中的应用潜力。