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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Дата начала: 2020Тема: search.filters.subject.nitrogen doping

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    Oxygen Evolution Reaction on a N-Doped Co 0.5 -Terminated Co 3 o 4 (001) Surface
    (De Gruyter Open, 2020-12-01)
    G. A. Kaptagay
    ;
    N.A. Sandibaeva
    ;
    Талгат Муратович Инербаев
    ;
    Yuri A. Mastrikov
    ;
    Eugene A. Kotomin
    Abstract Recent experimental findings suggest that the catalytic activity of Co 3 O 4 for oxygen evolution reaction (OER) could be improved by nitrogen doping. We present preliminary OER modelling on a N-doped Co 3 O 4 surface, with varying concentration of the dopant and its spatial distribution around Co oct and Co tet adsorption sites. The overpotential was calculated for two adsorption sites on seven types of N-doped Co 3 O 4 surface. The largest calculated overpotential value for a N-doped surface was ~1V.
    Цитирования (OpenAlex) 1
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    КВАНТОВО-ХИМИЧЕСКОЕ ИССЛЕДОВАНИЕ ДОПИРОВАНИЕ АЗОТОМ ОКСИДА КОБАЛЬТА Co 3 O 4
    (2021-03-22)
    L S Baikadamova
    ;
    Б. Керимбек
    We report the results of theoretical investigations of nitrogen doping on Co 3 O 4 (100) bulk by means of the plane-wave periodic density functional theory (DFT) calculations combined with the Hubbard-U approach and statistical thermodynamics. Using accurate DFT+U calculations, we have shown that bulk Co ions denote charges in value 0.017 – 0.57e. For further water adsorption process studies was selected structures with most changes in charges in Co ions: (3) structure for n=25%, (2) structure for n=12.5% and structure for (1) structure.
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    Functional Nanostructured Carbon Honeycomb Monoliths for Hemoadsorption: Preliminary Studies on Biocompatibility, Protein-Bound Uremic Toxins and Inflammatory Cytokines Elimination
    (Multidisciplinary Digital Publishing Institute, 2026-09-07)
    Jakpar Jandosov
    ;
    Carol Angela Howell
    ;
    Susan R. Sandeman
    ;
    D. Chenchik
    ;
    Sergey V. Mikhalovsky
    Rice husk (RH) is a renewable siliceous lignocellulosic waste providing a unique, greener and less toxic alternative to conventional synthetic polymeric precursors in the production of carbon-based materials for biomedical applications. In this work we studied the porous structure of RH-lignin-based activated carbon produced in the form of honeycomb carbon monoliths and assessed their potential as hemoadsorbents for blood purification in the treatment of patients with serious medical conditions, such as kidney failure and sepsis. To determine their clinical suitability for such an application, the hemocompatibility and cytotoxicity of the monoliths were investigated using the standard ISO guidelines. The monoliths did not cause any changes in the cell viability or cell lysis. High micro/mesoporosity and surface chemistry of the initial monolith-C, N- and P-doped nanostructured carbon honeycomb monoliths were established by low-temperature nitrogen adsorption (LTNA) studies, mercury porosimetry data (MIP), SEM/EDS analysis and FT-IR spectroscopy. The micro-mesoporous, activated carbon-based filtration/adsorbent prototype devices, in the form of three-dimensional (3D) carbon matrix, functionalized with ion-exchange amino- and phosphate groups and encased in polyolefin heat shrink cable sleeve, have been developed with the capacity to remove protein-bound uremic toxins (PBUTs), such us PCS and IS, as well as inflammatory cytokines (IL-6 and IL-8) from human plasma in a flowing model system. The ammoxidized monolith-N, derived from the monolith-C, had the highest removal efficiency (40.05% for PCS, and 28.4% for IL-6). By contrast, phosphorylated monolith-P demonstrated the highest removal efficiency (54.62% for IS, and 54.4% for IL-8), whilst the monolith-C has the lowest removal efficiency for these adsorbates. These results do not correlate with the LTNA and MIP study results, suggesting that the interaction of surface chemical functional groups with the solutes play key roles in the adsorption mechanism. The ion-exchange mechanism of PBUTs and inflammatory cytokine chemisorption by the monoliths, modified with surface N- and P-containing functional groups, has been proposed.