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Modeling of the Electrical Properties of Self-Assembled Island-Type Films of Polar C60F18 Molecules on Chemically Inactive Surfaces

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Abstract

The electrical properties of C60F18 fluorofullerene molecules with a high electric dipole moment during their physical adsorption on various surfaces were studied in order to investigate the possibility of creating interfaces with specified physical and chemical characteristics and controlling their properties. Spatial maps of the electrostatic potential and electric field strength of a single molecule were obtained. The distribution of the electrostatic potential of single-layer and multilayer, close-packed and sparse, as well as ordered and disordered ensembles of fluorofullerene molecules C60F18 earlier observed in experiments, and their effect on the substrate were modeled using the density functional theory. The calculations confirmed the experimentally established splitting of the F1s level in an electric field directed along the axis of symmetry of the molecule (linear Stark effect). Based on the nature of the interaction of the adsorbate molecules with the substrate and with each other, the influence of collective electrostatic effects on the monolayer structure and the shift of the core electronic levels, conclusions were drawn about the presence of local electric fields above the island film and in the near-surface region of the substrate, and the film growth process. The results of this study can be used to interpret the electrostatic potential distributions obtained by scanning quantum dot microscopy.

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ACKNOWLEDGMENTS

The study was carried out with the financial support of the Russian Foundation for Basic Research (project no. 20-33-90 246).

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Authors and Affiliations

  1. National Research Center “Kurchatov Institute”, 123182, Moscow, Russia

    A. V. Goryachevskiy, L. P. Sukhanov, A. M. Lebedev, N. Yu. Svechnikov, K. A. Menshikov, R. G. Chumakov & V. G. Stankevich

  2. Moscow Institute of Physics and Technology, 141700, Dolgoprudny, Moscow oblast, Russia

    L. P. Sukhanov

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  1. A. V. Goryachevskiy
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Goryachevskiy, A.V., Sukhanov, L.P., Lebedev, A.M. et al. Modeling of the Electrical Properties of Self-Assembled Island-Type Films of Polar C60F18 Molecules on Chemically Inactive Surfaces. J. Surf. Investig. 16, 233–246 (2022). https://doi.org/10.1134/S1027451022030107

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