Van der Waals heterostructures composed of low-dimensional atomic layers host rich physics for new device applications,such as magic-angle twisted bilayer graphene and coaxial multi-walled hetero-nanotubes.Aside from exploring their abnormal physical behavior,fabrication of such structures also presents a great challenge to this area,owing to the subtle and sensitive interactions among neighboring layers.Here we show by molecular dynamics simulations that narrow blue phosphorene nanoribbons can be encapsulated into carbon nanotubes driven by van der Waals interactions and form one-dimensional heterostructures.It shows that by varying carbon nanotube diameters and nanoribbon width,the nanoribbons can either retain their original straight structures or twist into tubular structures.Wrapping phases are also observed for large-sized blue phosphorus.It is found that the underlying mechanism originates from the competition between van der Waals energy and bending energy induced by tube curvature.A phase diagram of the resultant 1D structure is thus obtained based on a simple analysis of energetics.The results are expected to stimulate further experimental efforts in fabricating one-dimensional van der Waals heterostructues with desired functionality.

Yang Sun;Kun Zhou;Ruijie Wang;Zhuhua Zhang;Chun Tang;Wanlin Guo

Faculty of Civil Engineering and Mechanics,Jiangsu University,Zhenjiang 212013,China;Key Laboratory for Intelligent Nano Materials and Devices of Ministry of Education,State Key Laboratory of Mechanics and Control of Mechanical Structures,Institute for Frontier Science,Nanjing University of Aeronautics and Astronautics,Nanjing 210016,China

固体力学学报（英文版）

[1]Yang Sun;Kun Zhou;Ruijie Wang;Zhuhua Zhang;Chun Tang;Wanlin Guo-.Formation of One-Dimensional van der Waals Heterostructures via Self-Assembly of Blue Phosphorene Nanoribbons to Carbon Nanotubes)[J].固体力学学报（英文版）,2022(06):913-921

Phosphorene,Nanoribbons,nanoribbon,Wrapping,heterostructues

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