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Atomically Sharp, Closed Bilayer Phosphorene Edges by Self-Passivation

Authors
Lee SolLee YangjinDing Li PingLee KihyunDing FengKim Kwanpyo
Issue Date
Aug-2022
Citation
, v.16, no.8, pp.12822 - 12830
Volume
16
Number
8
Start Page
12822
End Page
12830
URI
https://yscholarhub.yonsei.ac.kr/handle/2021.sw.yonsei/6320
DOI
10.1021/acsnano.2c05014
Abstract
Two-dimensional crystals' edge structures not only influence their overall properties but also dictate their formation due to edge-mediated synthesis and etching processes. Edges must be carefully examined because they often display complex, unexpected features at the atomic scale, such as reconstruction, functionalization, and uncontrolled contamination. Here, we examine atomic-scale edge structures and uncover reconstruction behavior in bilayer phosphorene. We use in situ transmission electron microscopy (TEM) of phosphorene/graphene specimens at elevated temperatures to minimize surface contamination and reduce e-beam damage, allowing us to observe intrinsic edge configurations. The bilayer zigzag (ZZ) edge was found to be the most stable edge configuration under e-beam irradiation. Through first-principles calculations and TEM image analysis under various tilting and defocus conditions, we find that bilayer ZZ edges undergo edge reconstruction and so acquire closed, selfpassivated edge configurations. The extremely low formation energy of the closed bilayer ZZ edge and its high stability against e-beam irradiation are confirmed by first-principles calculations. Moreover, we fabricate bilayer phosphorene nanoribbons with atomically sharp closed ZZ edges. The identified bilayer ZZ edges will aid in the fundamental understanding of the synthesis, degradation, reconstruction, and applications of phosphorene and related structures.
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