Қазақ ұлттық қыздар педагогикалық университеті / Казахский национальный женский педагогический университет

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

Просмотр

Фильтры

2023 - 20242

Настройки

Автор: search.filters.author.B. M. SatanovaЕсть файлы: Да

Результаты поиска

Показано: 1 - 2 из 2
  • Загрузка...
    Изображение-миниатюра
    Некоторые метрики заблокированы вашими 
    настройками согласия
    Тип записи:Публикация,
    AB-INITIO CALCULATIONS OF RHOMBOHEDRAL BaTiO3 (111) SURFACE COMBINED WITH GRAPHENE FILMS
    (2023-12-29)
    B. M. Satanova
    ;
    G. A. Kaptagay
    ;
    A. P. Zharkymbekova
    ;
    Fatima U. Abuova
    ;
    Aisulu U. Abuova
    Thin films of ABO3 perovskite ferroelectrics are important for many industrial applications, i.e., high-capacity memory cells, catalysis, optical waveguides, and integrated optics. The use of BaTiO3 for these industries and products is due to the variety of its surface structure and, accordingly, its electronic and chemical properties. Calculations of the surface characteristics of BaTiO3 from the first principles are useful for understanding processes that play a crucial role, such as surface reaction chemistry, surface phenomena, and adsorption surfaces. This study examined theoretical calculations related to the relaxed atomic structures of the surface of BaTiO3 (111).
    Цитирования (OpenAlex) 1Цитирования (OpenCitations) 1
  • Загрузка...
    Изображение-миниатюра
    Некоторые метрики заблокированы вашими 
    настройками согласия
    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