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

PAGNOLA, M. R.; MORALES, F.; TANCREDI, P.; SOCOLOVSKY, L. M.

JOM (1989)

SPRINGER

Lugar: Berlin; Año: 2021 vol. 73

1047-4838

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.