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NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material

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Abstract

Nitrogen-doped carbon nanomaterials have greater capacity and better cycling stability for Li-ion batteries as compared to undoped carbon materials. In situ near-edge X-ray absorption fine structure (NEXAFS) spectroscopy in combination with quantum chemical modeling has been applied to determine the chemical states of the incorporated nitrogen after interaction with lithium. NEXAFS N K-edge spectra of nitrogen-doped porous carbon were measured before and after thermal deposition of Li vapors. The simulation and interpretation of NEXAFS data were carried out based on density functional theory calculations of initial and lithiated graphene fragments that contained different nitrogen species. The preferable interactions of Li with pyridinic and hydrogenated pyridinic nitrogen which are located at edges of atomic vacancies and graphene planes were revealed.

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Acknowledgements

We thank Dr. M. A. Kanygin for the SEM images, Mr. A. V. Ishchenko for the TEM images and Dr. B. A. Kolesov for the Raman spectra. The work was financially supported by the Russian Science Foundation (Grant No. 17-73-10226). The work was partially supported by the bilateral Program “Russian-German Laboratory at BESSY II” in the part of XPS and NEXAFS measurements.

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Authors and Affiliations

  1. Nikolaev Institute of Inorganic Chemistry, SB RAS, 3 Acad. Lavrentiev ave., Novosibirsk, Russia, 630090

    L. L. Lapteva, Yu. V. Fedoseeva, E. V. Shlyakhova, L. G. Bulusheva & A. V. Okotrub

  2. Novosibirsk State University, 2 Pirogova str., Novosibirsk, Russia, 630090

    Yu. V. Fedoseeva, E. V. Shlyakhova, L. G. Bulusheva & A. V. Okotrub

  3. Institute of Material and Solid State Physics, Dresden University of Technology, 01062, Dresden, Germany

    A. A. Makarova

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  1. L. L. Lapteva
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  2. Yu. V. Fedoseeva
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Correspondence to L. L. Lapteva.

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Lapteva, L.L., Fedoseeva, Y.V., Shlyakhova, E.V. et al. NEXAFS spectroscopy study of lithium interaction with nitrogen incorporated in porous graphitic material. J Mater Sci 54, 11168–11178 (2019). https://doi.org/10.1007/s10853-019-03586-6

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