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X-ray Spectroscopy Study of the Atomic and Electronic Structure of Polyacrylonitrile-Based Nanocomposites at Different Stages of Formation

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Advanced Materials

Part of the book series: Springer Proceedings in Materials ((SPM,volume 6))

Abstract

Study the atomic and electronic structure of polyacrylonitrile (PAN) during IR-annealing and the formation of Co/PAN nanocomposite based on a combination of computer simulation methods and X-ray absorption spectroscopy was carried out. Using the Density Functional Theory method, structural models of pure PAN and Co/PAN nanocomposite were obtained and electronic density of states was calculated. X-ray absorption spectra for the obtained structural models were calculated and showed good agreement with the experiment. The densities of states demonstrated that polymer form changes from non-conducting to conducting during annealing process.

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Acknowledgements

This work was supported by the Southern Federal University (Project no. VN_GR_07_2017-30).

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Authors and Affiliations

  1. Faculty of Physics, Southern Federal University, Zorge str. 5, Rostov-on-Don, Russia, 344090

    M. A. Kremennaya, V. A. Shmatko, T. A. Mikhailova, E. V. Pronina, K. D. Kosolapova & G. E. Yalovega

Authors
  1. M. A. Kremennaya
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  2. V. A. Shmatko
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  3. T. A. Mikhailova
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  4. E. V. Pronina
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  5. K. D. Kosolapova
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  6. G. E. Yalovega
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Corresponding author

Correspondence to M. A. Kremennaya .

Editor information

Editors and Affiliations

  1. I. I. Vorovich Mathematics, Mechanics and Computer Sciences Institute, Southern Federal University, Rostov-on-Don, Russia

    Ivan A. Parinov

  2. Department of Microelectronics Engineering, National Kaohsiung University of Science and Technology, Kaohsiung, Taiwan

    Shun-Hsyung Chang

  3. School of Mechanical Engineering, Hanoi University of Science and Technology, Hanoi, Vietnam

    Banh Tien Long

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Kremennaya, M.A., Shmatko, V.A., Mikhailova, T.A., Pronina, E.V., Kosolapova, K.D., Yalovega, G.E. (2020). X-ray Spectroscopy Study of the Atomic and Electronic Structure of Polyacrylonitrile-Based Nanocomposites at Different Stages of Formation. In: Parinov, I., Chang, SH., Long, B. (eds) Advanced Materials. Springer Proceedings in Materials, vol 6. Springer, Cham. https://doi.org/10.1007/978-3-030-45120-2_3

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