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

• DOI: 10.1007/s11837-020-04499-5
• Publication Date: 2021-01-02T17:02:42Z
• Authors: M. R. Pagnola; F. Morales; P. Tancredi; L. M. Socolovsky
• Keywords: Radial; 02 engineering and technology; Distribution; Function; https://purl.org/becyt/ford/2.10; https://purl.org/becyt/ford/2; 0210 nano-technology; Analysis

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.