Large-Scale Synthesis of Defect-Free Phosphorene on Nickel Substrates: Enabling Atomistic Thickness Devices.

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Abstract The synthesis of low-dimensional materials using phosphorus atoms remains challenging and extensively researched. Among these materials, phosphorene, a monolayer of black phosphorus, shows great promise for applications in atomically thin transistors and photonic devices. However, the lack of a reliable defect-free large-scale synthesis method has hindered its development for practical devices. In this study, we present a successful demonstration of large-scale and defect-free phosphorene synthesis on a Nickel (Ni) substrate. Additionally, we explore the substrate orientation effect, which enables the controllable synthesis of different allotropes. Specifically, we show that blue phosphorene can be grown on Ni (111) and Ni (100), while γ-Phosphorene, referred to as Navy Phosphorene, can be synthesized on Ni (110). Our work reveals that the synthesis process involves phosphorus pentamers (P5) as a crucial precursor for phosphorene formation. Moreover, we validate the accuracy of the P-Ni and P-P potentials and demonstrate the effectiveness of the molecular dynamics approach (M.D) in simulating 2D material synthesis in the vapor phase. These results are a valuable reference for achieving large-area monolayer phosphorene synthesis.

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