4.6 Article

Development of semiconductive foams based on cellulose-benzenesulfonate/CuFe2O4-nanoparticles and theoretical studies with DFT/B3PW91/LANDZ2 basis set

Journal

JOURNAL OF MOLECULAR STRUCTURE
Volume 1247, Issue -, Pages -

Publisher

ELSEVIER
DOI: 10.1016/j.molstruc.2021.131390

Keywords

Cellulose-benzenesulfonate; CuFe2O4 NPs; 3D foams; Conductive foams; Computational studies

Funding

  1. National Research Centre, Giza, Egypt

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This study developed a 3D semiconductive material with CuFe2O4 nanoparticles deposited on a cellulose derivative to create foam, which showed improved conductivity and morphology. The synthesized bimetallic foams were tested for electrical conductivity and dielectric loss, demonstrating a greater electrical effect in the presence of NO2 groups compared to CH3 groups. The chemical structure was confirmed using various analyses, including DFT calculations and experimental results.
This elucidation developed a 3D semiconductive material that served modern economics and doublet smart materials. The foam is prepared through lyophilization of cellulose derivatives and in the presence of CuFe2O4 nanoparticles deposited on the surface of the cellulose derivative. In the process, the surface morphology of the cellulosic fibers changed, along with the increase in conductivity of the bimetallic foams over blank foams. Synthesized foams were confirmed by several analyses, for example, FT-IR (infrared spectra), XRD (x-ray diffraction) TGA (thermal gravimetric analysis), SEM spectra(scanning electron microscope). The synthesized foams were tested in terms of electrical conductivity and dielectric loss. The foams gives a greater electrical effect in the presence of NO2 groups than CH3 groups. The chemical structure were confirmed via DFT/ B3PW91/LANDZ2 basis set and comparsion between calculated and experimental results. (C) 2021 Elsevier B.V. All rights reserved.

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