Structure, morphology and modelling studies of polyvinylalcohol nanocomposites reinforced with nickel oxide nanoparticles and graphene quantum dots
Language English Country Netherlands Media print-electronic
Document type Journal Article, Research Support, Non-U.S. Gov't
PubMed
34363804
DOI
10.1016/j.envres.2021.111842
PII: S0013-9351(21)01136-1
Knihovny.cz E-resources
- Keywords
- GQDs, NiO, PVA, Polymer nanocomposites, Structural model,
- MeSH
- Graphite * MeSH
- Quantum Dots * MeSH
- Nanoparticles * MeSH
- Nanocomposites * MeSH
- Nickel MeSH
- Polyvinyl Alcohol MeSH
- Spectroscopy, Fourier Transform Infrared MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- Graphite * MeSH
- nickel monoxide MeSH Browser
- Nickel MeSH
- Polyvinyl Alcohol MeSH
Nickel oxide (NiO) nanoparticles (NPs) and graphene quantum dots (GQDs) reinforced polyvinyl alcohol (PVA) nanocomposite films were prepared using a solution casting technique. The physicochemical characteristics of PVA/NiO/GQDs (PNG) nanocomposite films were studied using Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), and field emission scanning electron microscopy (FESEM). The obtained PNG nanocomposite films showed good mechanical flexibility and improved tensile strength. The influence of nanofiller concentrations on PNG nanocomposite film. The obtained results demonstrate an increase in the activation energy (Ea) up to PNG3 upon increasing the GQDs concentration and thereafter, its decreases. The fundamental interactions of the constituents of PNG nanocomposite film were investigated using density functional theory (DFT). This study on electronic structure reveals that the PVA model indirectly interacts with GQDs through the NiO model. This configuration is favoured in terms of interaction energy (-78 kJ/mol) compared to the one in which PVA interacts directly with the GQDs model.
Department of Physics The New College University of Madras Chennai 600014 Tamil Nadu India
New Technologies Research Center University of West Bohemia Univerzitní 8 30614 Plzeň Czech Republic
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