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

Autor:	F. Morales, Pablo Tancredi, Leandro M. Socolovsky, M. R. Pagnola
Rok vydání:	2021
Předmět:	Distribution function Materials science Coordination number General Engineering General Materials Science SPHERES Graphite Radial distribution function Molecular physics Ball mill Characterization (materials science) Grinding
Zdroj:	JOM. 73:2471-2478
ISSN:	1543-1851 1047-4838
DOI:	10.1007/s11837-020-04499-5
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::b9a4b2bd0a328844f9bacc739c40bcd3 https://doi.org/10.1007/s11837-020-04499-5 Zobrazit plný text záznamu Full text from SpringerLink