Effect of rhodium doping for photocatalytic activity of barium titanate
Kaptagay G.A. Satanova B.M. Abuova A.U. Konuhova M. Zakiyeva Z.Y. Tolegen U.Z. Koilyk N.O. Abuova F.U.
February 2025Elsevier B.V.
Optical Materials: X
2025#25
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.
Electrocatalysis , Electrode materials , Energy storage and conversion , Photocatalysis , Water splitting
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Institute of Physics, Mathematics and Digital Technologies, Kazakh National Womens Teacher Training University, Almaty, Kazakhstan
Department of Technical Physics, L.N. Gumilyov Eurasian National University, Astana, Kazakhstan
Institute of Solid State Physics, University of Latvia, Riga, Latvia
Institute of Physics
Department of Technical Physics
Institute of Solid State Physics
10 лет помогаем публиковать статьи Международный издатель
Книга Публикация научной статьи Волощук 2026 Book Publication of a scientific article 2026