Journal
MATERIALS TODAY COMMUNICATIONS
Volume 26, Issue -, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.mtcomm.2021.102030
Keywords
Graphite; Lanthanide oxides; Mechanical processing; Nanocomposites; Characterization; Quantum-chemical calculations
Categories
Funding
- National Autonomous University of Mexico (UNAM) [DGAPA-IN100821, DGAPA-IN203219, DGAPA-IG100918]
- Programa de Apoyos para la Superacion del Personal Academico (PASPA) UNAM
- Postgraduate Program in Chemical Sciences of UNAM
- National Council of Science and Technology of Mexico (CONACYT)
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The study focused on obtaining composites of graphite and selected Ln(2)O(3) oxides through high-energy ball-milling, resulting in nanocomposites combining nanosized graphite and Ln(2)O(3) particles. Characterization of the materials involved various techniques, while density functional theory calculations provided insights into the interactions between Ln(3+) ions and graphene sheets, as well as the charge and spin density distribution based on specific lanthanides.
The combination of lanthanide species with graphite and related carbon nanomaterials (including graphene and graphene oxide) is a pathway to hybrid materials and nanocomposites with unique properties. Mechanical processing (MP) is an especially efficient and attractive way to generate such nanostructured materials, since it results in progressive exfoliation of graphite and can yield a variety of carbon nanostructures with sp(2) hybridization, derived from the graphene building blocks. However, the knowledge of how lanthanides interact with graphite upon MP is very scarce. The goal of the present study was to obtain composites of graphite and selected Ln(2)O(3) oxides (Ln = La, Eu, Gd and Lu) via high-energy ball-milling. According to scanning electron microscopy and X-ray diffraction analysis, the materials obtained can be qualified as nanocomposites, combining nanosized graphite and Ln(2)O(3) particles, whose size depends on particular lanthanide species. The nanocomposites were characterized by using Raman, fluorescence and X-ray photoelectron spectroscopy, as well as thermogravimetric and differential thermal analysis. Density functional theory calculations were employed to provide an insight into the strength of interactions of Ln(3+) ions with graphene sheets as the structural elements of graphite, as well as the distribution of charge and spin density depending on a particular lanthanide.
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