Chemical Review and Letters

V2O5/ZnO/Pd nanocomposites: preparation, characterization and studying the photocatalytic activity against malachite green

Document Type : Research Article

Authors

Inam J Radhi 1
Aula Mahdi Al Hindawi 2
Hanan Qais AL-Masoud 2
Noorhan Ali Hamza 2
Zahraa Mushtaq Abd Al-aama 2
Mohammed Ali Hasan 2

1 The department of chemistry, college of education for pure science, university of Karbala,

2 Department of Chemistry, College of Education for Pure Science ,University of Karbala, Karbala, Iraq

https://doi.org/10.22034/crl.2025.511273.1557
Abstract
A novel porous Vanadium pentoxide\Zinc Oxide\Palladium ternary nanocomposite (V2O5\ZnO\Pd) was synthesized by photoreduction method. Many techniques were used to characterize the prepared nanocomposite. XRD chart shows The composite contains two crystal phases of pure zinc oxide and vanadium pentoxide , first one related to orthorhombic structured of V2O5 and the other is identified to hexagonal structure of ZnO, indicating.Transmission electron microscopy (TEM) and field emission scanning electron microscopy were used to examine the morphology. The results suggest that V2O5/ZnO/Pd nanocomposite has the ability to remove organic contaminants from wastewater and soil pollution treatments. Finally, the nanocomposite 96% efficiency of the photo degradation of dye after 100 min under visible light. The ground-state structures were optimized using density functional theory (DFT), with equilibrium geometries and frontier molecular orbital surfaces, including the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), determined accordingly. The stability of the ground-state structures was corroborated by a frequency analysis carried out at the same computational level, which verified the lack of imaginary frequencies. The excitation energies of the singlet states were computed based on the optimized ground-state geometries using time-dependent density functional theory (TD-DFT),utilizing the identical functional and foundational set. Along with their configuration interaction descriptions and oscillator strengths, this method yielded the permitted vertical electronic excitation energy, which correlate to absorption energies in the UV/Vis spectral range.

Graphical Abstract

V2O5/ZnO/Pd nanocomposites: preparation, characterization and studying the photocatalytic activity against malachite green

Keywords

Ternary nanocomposite
photocatalyst
ZnO and Malachite green dye

Subjects

Chemical Review and Letters
Volume 8, Issue 5 - Serial Number 5
September and October 2025
Pages 1061-1068

  • Receive Date 08 March 2025
  • Revise Date 22 April 2025
  • Accept Date 24 April 2025

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