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Radial Distribution Function Analysis and Molecular Simulation of Graphene Nanoplatelets Obtained by Mechanical Ball Milling

  • Nanomaterials and Composites for Energy Conversion and Storage
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Abstract

Graphene nanoplatelets have been synthesized by ball milling of synthetic graphite and its structural features studied by x-ray analysis using Mo Kα radiation followed by the proposal of a possible molecular arrangement using AVOGADRO® software. Additional characterization using complementary techniques was also performed. The radial and total distribution functions of the coordination number, as well as atomic distances within short-range order, revealed that oxygen atoms were incorporated into the material produced after 24 h of grinding. The structural disorder parameter (ξ) was found to be ~ 3.5, as well as superposition between the second and third coordination spheres (r ~ 2.4 × 10−1 nm), which can be attributed to the presence of oxygen atoms, as suggested by localized defects.

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Acknowledgements

This work was supported by Argentinean Consejo de Investigaciones Científicas y Tecnológicas (CONICET), PIP 039 CO/17; and UBACyT 20020150100088BA. We are grateful to Dr. Fabio Saccone and Dr. Gabriel Ybarra.

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Authors and Affiliations

  1. Laboratorio de Sólidos Amorfos, Facultad de Ingeniería, Universidad de Buenos Aires, Av. Paseo Colón 850, C1063ACV, Buenos Aires, Argentina

    M. R. Pagnola

  2. Instituto de Tecnologías y Ciencias de la Ingeniería “Hilario Fernández Long” (INTECIN), CONICET - Universidad de Buenos Aires, Buenos Aires, Argentina

    M. R. Pagnola & F. Morales

  3. Nanomateriales Funcionales, INTI-Micro y Nanotecnologías, Instituto Nacional de Tecnología Industrial, San Martín, Buenos Aires, Argentina

    P. Tancredi

  4. Universidad Tecnológica Nacional Facultad Regional Santa Cruz - CIT Santa Cruz (CONICET), Río Gallegos Santa Cruz, Argentina

    L. M. Socolovsky

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  1. M. R. Pagnola
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Pagnola, M.R., Morales, F., Tancredi, P. et al. Radial Distribution Function Analysis and Molecular Simulation of Graphene Nanoplatelets Obtained by Mechanical Ball Milling. JOM 73, 2471–2478 (2021). https://doi.org/10.1007/s11837-020-04499-5

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  • DOI: https://doi.org/10.1007/s11837-020-04499-5

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