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Formation of 2D silicon-carbide nanoribbons by cooling from the melt and out-of-plane displacements of atoms

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Abstract

Formation of two-dimensional (2D) crystalline silicon carbide (SiC) from the melt is studied using molecular dynamics (MD) simulations. Model containing 11040 atoms interacted via the Vashishta interaction potential is cooled from 4500 to 300 K to investigate the change in structure and thermodynamic properties. We find evidence that crystallization of 2D SiC from the melt undergoes over some stages as follows. At temperature high enough, liquid 2D SiC exhibits the chain-like structure and further cooling leads to the formation of 2D SiC liquid with the ring-like structure. After that massive occurrence/growth of solid-like atoms occurs in the system leading to the formation of 2D SiC with a honeycomb structure. Moreover, out-of-plane displacements of atoms in the SiC nanoribbons at the selected temperatures are found and discussed.

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Acknowledgements

We acknowledge Ho Chi Minh City University of Technology (HCMUT), VNU-HCM for supporting this study.

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Ho Chi Minh City University of Technology (HCMUT), VNU-HCM.

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Authors and Affiliations

  1. Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam

    Vo Van Hoang, Tue Minh Le Nguyen & Hang T. T. Nguyen

  2. Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thủ Đức, Ho Chi Minh City, Vietnam

    Vo Van Hoang, Tue Minh Le Nguyen & Hang T. T. Nguyen

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  1. Vo Van Hoang
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Correspondence to Hang T. T. Nguyen.

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Van Hoang, V., Le Nguyen, T.M. & Nguyen, H.T.T. Formation of 2D silicon-carbide nanoribbons by cooling from the melt and out-of-plane displacements of atoms. J Nanopart Res 25, 232 (2023). https://doi.org/10.1007/s11051-023-05883-3

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