Effect of rhodium doping for photocatalytic activity of barium titanate

G.A. Kaptagay; B.M. Satanova; A.U. Abuova; M. Konuhova; Zh.Ye. Zakiyeva; U. Zh Tolegen; N.O. Koilyk; F.U. Abuova

Optical Materials: X (Feb 2025)

Effect of rhodium doping for photocatalytic activity of barium titanate

G.A. Kaptagay,
B.M. Satanova,
A.U. Abuova,
M. Konuhova,
Zh.Ye. Zakiyeva,
U. Zh Tolegen,
N.O. Koilyk,
F.U. Abuova

Affiliations

G.A. Kaptagay: Institute of Physics, Mathematics and Digital Technologies, Kazakh National Women's Teacher Training University, Almaty, Kazakhstan
B.M. Satanova: Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan
A.U. Abuova: Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan
M. Konuhova: Institute of Solid State Physics, University of Latvia, Riga, Latvia
Zh.Ye. Zakiyeva: Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan
U. Zh Tolegen: Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan
N.O. Koilyk: Institute of Physics, Mathematics and Digital Technologies, Kazakh National Women's Teacher Training University, Almaty, Kazakhstan
F.U. Abuova: Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan; Corresponding author.

Journal volume & issue: Vol. 25
p. 100382

Abstract

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By means of DFT oxygen evolution reaction on Rh-doped BaTiO3 (001) surface has been modeled. Gibbs free energies for each step of the reaction as well as the values of overpotential have been calculated, taking into account the solvation effect. The position of Rh-induces defect energy levels have been determined. Our findings indicated a substantial reduction in overpotential for the Rhodium-modified TiO2 surface compared to the bare surface. The high overpotential on the bare BaTiO3 surface suggests low OER efficiency, making Rh doping a promising strategy for enhancement.

Published in Optical Materials: X

ISSN: 2590-1478 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Technology: Engineering (General). Civil engineering (General): Applied optics. Photonics; Science: Physics: Optics. Light
Website: https://www.journals.elsevier.com/optical-materials-x

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