Correlation between experimental and DFT calculations of photocatalytic and optical properties of La0.8Nd0.1Sr0.1MnO3 perovskite: degradation efficiency of methyl orange dye under visible-irradiated conditions
Artikel i vetenskaplig tidskrift, 2021

La0.8Nd0.1Sr0.1MnO3 perovskite was synthesized using the citrate gel method. The crystal structure was studied by X-ray diffraction. The Rietveld refinement reveals a single R-3C rhombohedral structure. The morphological properties were investigated by a scanning electron microscopy, connected to an energy-dispersive X-ray detector for mapping and elements composition, showing a sponge-like structure behavior of agglomerated particles. The band gap energy and the optical properties were studied theoretically by Density-Functional Theory (DFT) calculations. It showed that La0.8Nd0.1Sr0.1MnO3 exhibited a high photoabsorption property with band gap energy of ≈ 2.5 eV. The methyl orange (MO) degradation properties were studied by measuring time-dependent UV–Visible absorption of the dye solution. The photocatalytic activity was evaluated at different times under visible light and ambient temperature conditions for La0.8Nd0.1Sr0.1MnO3 solution. A high degradation rate of 80% in 120 min under UV irradiation conditions was observed. It indicated that La0.8Nd0.1Sr0.1MnO3 presents high photocatalytic efficiency and could be a good candidate for MO degradation.


O. Messaoudi

University of Hail

A. Mabrouki

University of Sfax

Moufida Mansouri

Chalmers, Kemi och kemiteknik, Energi och material

L. Alfhaid

University of Hail

A. Azhary

University of Hail

S. Elgharbi

University of Hail

Journal of Materials Science: Materials in Electronics

0957-4522 (ISSN) 1573-482X (eISSN)

Vol. 32 17 22481-22492


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