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Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl | The Journal of Physical Chemistry Letters
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Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl
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    Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl
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    • Kseniya A. Tikhomirova
      Kseniya A. Tikhomirova
      Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow 121205, Russia
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    • Christian Tantardini
      Christian Tantardini
      Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow 121205, Russia
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      Orcidhttp://orcid.org/0000-0002-2412-9859
    • Ekaterina V. Sukhanova
      Ekaterina V. Sukhanova
      Emanuel Institute of Biochemical Physics RAS, 4 Kosigina Street, Moscow 119334, Russia
      Moscow Institute of Physics and Technology, 9 Institutsky Pereulok, Dolgoprudny 141700, Russia
      More by Ekaterina V. Sukhanova
      Orcidhttp://orcid.org/0000-0002-3544-2365
    • Zakhar I. Popov
      Zakhar I. Popov
      Emanuel Institute of Biochemical Physics RAS, 4 Kosigina Street, Moscow 119334, Russia
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    • Stanislav A. Evlashin*
      Stanislav A. Evlashin
      Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow 121205, Russia
      *[email protected]
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      Orcidhttp://orcid.org/0000-0001-6565-3748
    • Mikhail A. Tarkhov
      Mikhail A. Tarkhov
      Institute of Nanotechnologies of Microelectronics of the Russian Academy of Sciences, 32 A Leninsky Prospekt, Moscow 119991, Russia
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    • Vladislav L. Zhdanov
      Vladislav L. Zhdanov
      Higher School of Economics, 20 Myasnitskaya Str., Moscow 101000, Russia
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    • Alexander A. Dudin
      Alexander A. Dudin
      Institute of Nanotechnologies of Microelectronics of the Russian Academy of Sciences, 32 A Leninsky Prospekt, Moscow 119991, Russia
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    • Artem R. Oganov
      Artem R. Oganov
      Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow 121205, Russia
      Moscow Institute of Physics and Technology, 9 Institutsky Pereulok, Dolgoprudny 141700, Russia
      International Center for Materials Discovery, Northwestern Polytechnical University, Xi’an 710072, China
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      Orcidhttp://orcid.org/0000-0001-7082-9728
    • Dmitry G. Kvashnin
      Dmitry G. Kvashnin
      Emanuel Institute of Biochemical Physics RAS, 4 Kosigina Street, Moscow 119334, Russia
      Moscow Institute of Physics and Technology, 9 Institutsky Pereulok, Dolgoprudny 141700, Russia
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      Orcidhttp://orcid.org/0000-0003-3320-6657
    • Alexander G. Kvashnin*
      Alexander G. Kvashnin
      Skolkovo Institute of Science and Technology, 30, bld. 1 Bolshoy Boulevard, Moscow 121205, Russia
      *[email protected]
      More by Alexander G. Kvashnin
      Orcidhttp://orcid.org/0000-0002-0718-6691
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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2020, 11, 10, 3821–3827
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    https://doi.org/10.1021/acs.jpclett.0c00874
    Published April 24, 2020
    Copyright © 2020 American Chemical Society
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    Abstract

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    NaCl is one of the simplest compounds and was thought to be well-understood, and yet, unexpected complexities related to it were uncovered at high pressure and in low-dimensional states. Here, exotic hexagonal NaCl thin films on the (110) diamond surface were crystallized in the experiment following a theoretical prediction based on ab initio evolutionary algorithm USPEX. State-of-the-art calculations and experiments showed the existence of a hexagonal NaCl thin film, which is due to the strong chemical interaction of the NaCl film with the diamond substrate.

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpclett.0c00874.

    • Detailed description of computational methodology; data on the simulations of the formation of NaCl films on the metal substrates, electron localization functions of predicted structure on diamond substrates, and simulations of SAED; details of experimental synthesis of NaCl on diamond substrates as well as description of X-ray scattering and SAED measurements (PDF)

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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2020, 11, 10, 3821–3827
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.0c00874
    Published April 24, 2020
    Copyright © 2020 American Chemical Society
    Request reuse permissions

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