Rathika, G and UNSPECIFIED (2024) Surface and quantum chemical parameters of nickel oxide nanostructures suited for ultraviolet-assisted cationic dye degradation. Surface and quantum chemical parameters of nickel oxide nanostructures suited for ultraviolet-assisted cationic dye degradation. pp. 1-10. ISSN 2307-4108

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Abstract

Nickel oxide (NiO) nanostructures were synthesized through chemical precipitation and subsequently analyzed
using a scanning electron microscopy (SEM) and X-ray diffraction (XRD). Rietveld refinement of XRD data
revealed a cubic structure with lattice parameters of a = b = c = 4.173 Å. Fourier transform infrared spec�troscopy and energy dispersive X-ray were employed to analyze the functional group and elemental composition
of NiO NPs. The ultraviolet diffuse reflectance spectra indicated an optical band gap of 3.08 eV for synthesized
NiO nanoparticles. Surface characteristics were evaluated using the Gwyddion open-source application, and
parameters including Ra (mean roughness), Rq (mean square roughness), Rsk (surface skewness), and Rku
(kurtosis coefficient) were calculated. The chemical properties of NiO were investigated through density func�tional theory calculations, and the results aligned well with experimental data. Furthermore, a comparative
analysis of the photodegradation of methylene blue (MB) and rhodamine B (RhB) in the presence of UV light was
examined, and it followed pseudo-first-order rate kinetics with degradation efficiencies of 82.62% (MB) and
71.31% (RhB), respectively. The electric energy per order for the photodegradation process was calculated to be
9.4 × 102 kWh/m3
/order (MB) and 11.7 × 102 kWh/m3
/order (RhB). Notably, the low electric energy con�sumption per order indicated a cost advantage for the reactor setup.

Item Type: Article
Additional Information: www.sciencedirect.com/journal/kuwait-journal-of-science
Uncontrolled Keywords: Nickel oxide nanoparticles (NiO NPs) Photodegradation Surface parameters Optical band gap Density functional theory (DFT)
Divisions: PSG College of Arts and Science > Department of Chemistry
Depositing User: Mr Team Mosys
Date Deposited: 16 Apr 2024 11:08
Last Modified: 24 Apr 2024 07:27
URI: http://ir.psgcas.ac.in/id/eprint/2122

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