Қазақ ұлттық қыздар педагогикалық университеті / Казахский национальный женский педагогический университет

Постоянный URI для этого сообществаhttps://cris.qyzpu.kz/handle/123456789/1

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2024 - 20263

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Язык: АнглийскийТема: search.filters.subject.photocatalysis

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    Тип записи:Публикация,
    EFFECT OF Rh-DOPING ON THE OPTICAL ABSORPTION OF THE (001) BaTiO3 SURFACE
    (2024-06-30)
    Zh. Ye. Zakiyeva
    ;
    Talgat M. Inerbaev
    ;
    Aisulu U. Abuova
    ;
    Fatima U. Abuova
    ;
    S. A. Nurkenov
    Barium titanate is one of the most studied perovskite materials due to its substitution ability at both nodes of the crystal lattice, high dielectric constant, and stability. It has many outstanding characteristics, especially ferroelectric and dielectric properties, which can be improved by alloying, making this material suitable for a wide range of applications. In this paper, the effect of Rh doping on the structural, optical properties and electronic density of states of this compound is investigated. According to our calculations, Rh doping is a method that helps to increase the ability of BaTiO3 to absorb more light and reduce the excess potential required for water oxidation. Calculations of the electronic density of states were carried out using the hybrid functional HSE06. The analysis of optical properties was performed on the basis of matrix elements with a transient dipole moment. Studies have confirmed that the (001) BaTiO3 surface with terminated TiO2 has significant potential for use as a catalyst. Rh doping leads to an expansion of the spectrum of absorbed light over the entire visible range.
    Цитирования (OpenAlex) 1Цитирования (OpenCitations) 1
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    Тип записи:Публикация,
    Effect of rhodium doping for photocatalytic activity of barium titanate
    (Elsevier BV, 2024-11-28)
    G. A. Kaptagay
    ;
    B. M. Satanova
    ;
    Aisulu U. Abuova
    ;
    Marina Koņuhova
    ;
    Zh. Ye. Zakiyeva
    By means of DFT oxygen evolution reaction on Rh-doped BaTiO 3 (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 TiO 2 surface compared to the bare surface. The high overpotential on the bare BaTiO 3 surface suggests low OER efficiency, making Rh doping a promising strategy for enhancement.
    Цитирования (OpenAlex) 7Цитирования (OpenCitations) 3
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    Тип записи:Публикация,
    Perovskite Manganites: An Overview of Synthesis, Classification, Characterization, and Applications
    (Multidisciplinary Digital Publishing Institute, 2026-06-24)
    Marzhan Nurbekova
    ;
    Mukhametkali Musagalievich Mataev
    ;
    Moldir Rashidovna Abdraimova
    ;
    Zhanar Yliasovna Tursinova
    ;
    Zhadyra Durmenbayeva
    Perovskite manganites (AMnO3) and perovskite-like manganites (A′1−xAxMnO3) are complex oxide materials that have attracted significant attention from the scientific community in recent years due to their structural flexibility, mixed-valence state, tunable electronic configuration, and multifunctional properties. This review systematically analyzes the synthesis methods, structural classification, and physicochemical characterization of perovskite manganites, as well as their magnetic, optical, electrical, dielectric, and catalytic properties. The influence of solid-state reactions, sol–gel, Pechini, hydrothermal, co-precipitation, microwave, and other mild chemical approaches on phase purity, morphology, particle size, and oxygen stoichiometry was examined. The structural diversity of perovskite and perovskite-like manganites, including simple ABO3, double perovskites, multilayer, and low-dimensional systems, was characterized in relation to their functional properties. The review discussed the capabilities of methods for synthesizing and analyzing morphological properties, demonstrating the role of doping, cation substitution, oxygen vacancies, and Jahn–Teller distortions in controlling material properties. Prospects for the application of perovskite manganites in spintronics, magnetocaloric cooling, photocatalysis, gas-sensing devices, and energy conversion and storage systems were analyzed. This review highlights the structure–property–application relationship in perovskite manganites.
    Цитирования (OpenAlex) 2