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How Does the Step on Graphite Surface Impact Ice Nucleation?

  • Quanming Xu
    Quanming Xu
    Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, P. R. China
    More by Quanming Xu
  • Hao Wang
    Hao Wang
    Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, P. R. China
    More by Hao Wang
  • Jianyang Wu
    Jianyang Wu
    Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, P. R. China
    More by Jianyang Wu
  • , and 
  • Zhisen Zhang*
    Zhisen Zhang
    Department of Physics, Research Institute for Biomimetics and Soft Matter, Jiujiang Research Institute and Fujian Provincial Key Laboratory for Soft Functional Materials Research, Xiamen University, Xiamen 361005, P. R. China
    *Email: [email protected]
    More by Zhisen Zhang
Cite this: Cryst. Growth Des. 2021, 21, 8, 4354–4361
Publication Date (Web):July 14, 2021
https://doi.org/10.1021/acs.cgd.1c00253
Copyright © 2021 American Chemical Society

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    Abstract

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    Heterogeneous ice nucleation has always been a hot research topic because of its fundamental importance to a variety of research areas, from climate to biology and from aviation to the energy industry. The formation of ice in the earth’s atmosphere depends on aerosols of various sources. As the main component of atmospheric aerosols, carbon particles composed of graphite have attracted much attention in heterogeneous ice nucleation. There is great variability in the freezing efficiency of ice induced by surface nanostructures, and the presence of surface defects, such as steps, can lead to the complex behavior of ice nucleation. In this work, molecular dynamics (MD) simulation was employed to investigate ice nucleation on graphite surfaces with the step structure. It was found that the graphite step with a real atomic structure reduced the freezing efficiency of surfaces, which was attributed to the large interfacial free energy between ice and the side face of the graphite steps. It was demonstrated by further investigations that the effect of nanogrooves consisting of step edges on ice nucleation was not only determined by the matching of groove width and ice lattice constant but also by the atomic structure of nanogrooves, shedding light on the study of control strategy of ice nucleation by surface nanostructures.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.cgd.1c00253.

    • Schematic diagram of step structures adopted in MD simulations with periodic boundary conditions; snapshots of ice nucleation of cooling simulation and isothermal simulation in systems with various scales; and the MD simulation system with nanogroove consisting of the graphite step structure (PDF)

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    Cited By

    This article is cited by 3 publications.

    1. Nan Li, Jing Jiang, M.Y. Yang, Hao Wang, Yuan Ma, Zhe Li, G.H. Tang. Anti-icing mechanism of combined active ethanol spraying and passive surface wettability. Applied Thermal Engineering 2023, 220 , 119805. https://doi.org/10.1016/j.applthermaleng.2022.119805
    2. Xuanhao Fu, Xin Zhou. Different roles of surfaces’ interaction on lattice mismatched/matched surfaces in facilitating ice nucleation. Chinese Physics B 2023, 32 (2) , 028202. https://doi.org/10.1088/1674-1056/aca202
    3. Shanshan Jiang, Yunhe Diao, Huige Yang. Recent advances of bio-inspired anti-icing surfaces. Advances in Colloid and Interface Science 2022, 308 , 102756. https://doi.org/10.1016/j.cis.2022.102756

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