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Синтез Fe-ZIF и особенности сорбции ионов цинка и меди на его поверхности
Журнал неорганической химии. 2023. Т. 68. № 7. С. 939–945.
Vashurin A., Карасева А. А., Филиппов Д. В.
A method for the synthesis of a zeolite imidazolate framework based on Fe(III) at various metal/linker ratios is proposed, which is used as a sorbent for the extraction of zinc(II) and copper(II) ions. For the obtained materials, it was found that the particles have a hexagonal structure and represent a microheterogenic system with an average particle size of 0.05–0.1 microns. Nitrogen adsorption isotherms in Fe-ZIF pores have been obtained. As a result of their processing, the parameters of the porous structure of the synthesized samples were found. The adsorption of Cu2+ and Zn2+ ions from aqueous solutions at a temperature of 298.15 K was studied and their high degree of extraction was shown. The adsorption of copper and zinc ions is spontaneous in all cases. The maximum degree of filling of the active centers of the surface reaches 0.96 and 0.71 for copper and zinc, respectively. The course of adsorption in the volume of an energetically homogeneous porous adsorbent and the predominance of micropores in the structure of 2-ethylimidazolate of iron(III) have been established.
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 Article 064506
A self-consistent statistical-mechanical theory of the Hall effect in electrolyte solutions is developed by extending the self-consistent Debye–Hückel–Onsager (SCDHO) framework to crossed electric and magnetic fields. The theory incorporates non-local ionic charge distributions via Slater-type form factors, regularizing the Coulomb interaction at short range, and accounts for dielectric friction through ion-specific coefficients, employing experimental values ...
Added: August 12, 2026
G. G. Bondarenko, Kristya V. I., Savichkin D. O. et al., Journal of Surface Investigation: X-Ray, Synchrotron and Neutron Techniques 2026 Vol. 20 No. 2 P. 417–423
A model of a glow gas discharge in a mixture of argon and mercury vapor is formulated in the presence
of a thin insulating film on the cathode surface. Dependences of the discharge characteristics on the
mixture temperature are calculated in the range of its variation, in which a noticeable contribution to ionization
of the working gas is ...
Added: August 1, 2026
Voropaeva D., S. Novikova, I. Stenina et al., Solid State Ionics 2026 Vol. 445 Article 117288
Composite gel polymer electrolytes based on a perfluorinated sulfonic acid cation-exchange MF-4SC membrane
containing surface-sulfonated nanoparticles of aluminum oxide, cerium (IV) oxide, and titanium oxide (sAl2O3,
sCeO2, and sTiO2, respectively) were prepared by casting from a dispersion in N,N-dimethylformamide and
plasticized with a 1,3-dioxolane/1,2-dimethoxyethane mixture. The influence of the filler nature on ionic conductivity,
solvent uptake, activation energy, lithium ...
Added: July 30, 2026
Dmitry Vasilyev, Gorev V., Ikhsanov R. et al., Journal of Materials Science 2026 No. 61 P. 25452–25470
The orthorhombic phase of 𝛼-Mo2 C is a key component in electrocatalytic applications, as Mo2C-based catalysts can exhibit catalytic performance comparable to or exceeding that of noble metals. Despite its technological relevance, theoretical understanding of the anisotropy in the thermal expansion and related thermoelastic properties of 𝛼-Mo2 C remains limited. In this work, first-principles calculations ...
Added: July 23, 2026
Borovitskaya I. V., Pimenov V. N., Korshunov S. N. et al., Physics of Atomic Nuclei 2026 Vol. 89 No. 1 P. S48–S55
The effect of high-power pulsed laser radiation (LR) generated in the GOS 1001 setup in the
Q-modulated mode (with a flux power density q equal to 1 × 1014 W/m2, pulse duration t = 50 ns, and the
number of pulses N from 1 to 8 in vacuum) on the structure and microhardness of the surface of ...
Added: July 22, 2026
Korogod D., Shapeev A., Ivan S. Novikov, Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
Kilinc N., ALI I., Economies 2026 Vol. 14 No. 7 Article 277
The increasingly rapid process of de-dollarization in the context of growing geopolitical fragmentation has significantly altered the monetary dynamics of the global economy, thereby posing important questions about economic resilience and sustainable development in the emerging world. This research investigates de-dollarization-related macro-financial conditions and their association with economic resilience in the BRICS+ countries during the ...
Added: July 14, 2026
Moshkina E., Molokeev M., Zolotov A. et al., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412
A wide series of substitutions in a subsystem of small radii cations M = Al, Cr, Fe, Ga, Sc is possible in rare-earth borates ReM3(BO3)4 with the huntite structure. However, the existence of these compounds where M = Mn still raises doubts. The study presents a synthetic approach developed in the framework of the flux method allowing for the required ...
Added: June 29, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Laurinavichyute V., Levin E. E., Mironkova A. A. et al., Surfaces and Interfaces 2026 Vol. 81 Article 108389
In this work we characterize mixed Mo-W acidic deposition solutions with Mo content ranging from 0 to 100 mol.% by Raman and UV–Vis spectroscopy. The obtained distribution diagram of mixed isopolyanions allows one to explain the observed change in film deposition rate with increase in Mo content. It was found that the initial decrease in ...
Added: June 24, 2026
Г. Г. Бондаренко, Кристя В. И., Савичкин Д. О. et al., Поверхность. Рентгеновские, синхротронные и нейтронные исследования 2026 № 4 С. 29–36
Сформулирована модель тлеющего газового разряда в смеси аргона и паров ртути при наличии
на поверхности катода тонкой диэлектрической пленки. Рассчитаны зависимости характеристик
разряда от температуры в интервале ее изменения, в котором заметный вклад в ионизацию
рабочей газовой смеси дает ионизация атомов ртути метастабильными возбужденными атомами
аргона (реакция Пеннинга). Показано, что в случае катода без диэлектрической пленки при
повышении температуры до ...
Added: June 20, 2026
Filippova A. V., Yurchenko N. Y., Smirnov S. A. et al., Journal of Alloys and Compounds 2026 No. 1074 Article 189162
This study investigates the effects of post-processing heat treatment at 300–500 °C on the microstructure, hardness, and tensile properties of laser powder bed fusion (PBF-LB) processed Al-bronze processed with energy densities (ED) in the range of 125–938 J/mm3. In the as-printed state, sharp needle-like α + β′ laths form at lower ED whereas with increasing ED, the β′ ...
Added: June 12, 2026
Zirnik G., Ostovari Moghaddam A., Zhukov S. et al., Journal of Materials Science: Materials in Electronics 2026 Vol. 37 Article 738
In regards to the advances in InGaZnO for flexible transistors applications, herein for the first time we measure the broadband radio-frequency range (10 Hz to 1 MHz) dielectric permittivity ε′ and electrical conductivity σ of InGaZnO4 nanoparticle layers at different temperatures ranging from 10 to 300 K. The InGaZnO4 nanoparticles prepared by metal–nitrate–glycol gel decomposition method exhibited ...
Added: June 6, 2026
Obijiofor O., Novikov A., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768
Rational design of gold-based nanocarriers for neurotherapeutics requires atomic-scale understanding of drug-material interactions. Density functional theory calculations were performed to investigate levodopa (L-DOPA) adsorption on small gold clusters (Au2–Au4) with cationic, neutral, and anionic charges, with additional validation on a larger Au10 cluster using multiple low-energy isomers. Binding free energies (ΔGbind), charge transfer, and electronic descriptors ...
Added: June 3, 2026
Das A., Saikia J., Maji N. et al., ChemNanoMat 2026 Vol. 12 No. 5 Article e202500733
Developing efficient photoactive materials from bio-derived resources is vital yet challenging for achieving effective water splitting performance. In this work, nano carbon dots (CDs) of zero-dimensional (0D) were synthesized from papaya peel through a simple and eco-friendly process and subsequently anchored onto the two-dimensional (2D) layered structure of graphitic carbon nitride (g-C3N4, GCN) at various ...
Added: June 2, 2026
Wary R. R., Mahato B., Sharma N. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 5099–5107
Development of heterojunction materials is an efficient approach for enhancing photocatalytic and photoelectrochemical processes. We develop a ZnO/CuO heterojunction via Cu doping into a ZnO matrix. Structural characterization confirmed that Cu was effectively incorporated into ZnO without any structural changes. The improved optical properties and reduced charge carrier recombination of the doped samples were confirmed ...
Added: June 2, 2026
Pavlova T., Shevlyuga V. M., Journal of Chemical Physics 2024 Vol. 160 No. 5 Article 054701
For the most precise incorporation of single impurities in silicon, which is utilized to create quantum devices, a monolayer of adatoms on the Si(100) surface and a dopant-containing molecule are used. Here we studied the interaction of a phosphorus tribromide with a chlorine monolayer with mono- and bivacancies in a scanning tunneling microscope (STM) at ...
Added: July 2, 2024
T. V. Pavlova, V. M. Shevlyuga, Journal of Chemical Physics 2023 Vol. 159 No. 21 Article 214701
The interaction of the PBr3 molecule with Si dangling bonds (DBs) on a chlorinated Si(100) surface was studied. The DBs were charged in a scanning tunneling microscope (STM) and then exposed to PBr3 directly in the STM chamber. Uncharged DBs rarely react with molecules. On the contrary, almost all positively charged DBs were filled with molecule fragments. ...
Added: January 29, 2024
T.V. Pavlova, Eltsov K. N., Journal of Physics: Condensed Matter 2021 Vol. 33 No. 38 Article 384001
Despite the interest in a chlorine monolayer on Si(100) as an alternative to hydrogen resist for atomic-precision doping, little is known about its interaction with dopant-containing molecules. We used the density functional theory to evaluate whether a chlorine monolayer on Si(100) is suitable as a resist for PH3, PCl3, and BCl3 molecules. We calculated reaction ...
Added: October 9, 2021
Grekov D. I., Suzuki-Muresan T., Kalinichev A. G. et al., Physical Chemistry Chemical Physics 2020 Vol. 22 No. 29 P. 16727–16733
The ability of smectite clays to incorporate gases in their interlayers is shown to be conditioned by interlayer spacing, depending, in turn, on phyllosilicate layer composition and effective size of the charge-balancing cations. As illustrated by earlier in situ X-ray diffraction and spectroscopic characterization of the gas/clay interface, most smectites with small-size charge-balancing cations, such ...
Added: October 25, 2020
Nikita S. Komarov, Tatiana V. Pavlova, Boris V. Andryushechkin, Journal of Physical Chemistry C 2019 Vol. 123 No. 45 P. 27659–27665
Scanning tunneling microscopy (STM), lowenergy electron diffraction (LEED), Auger electron spectroscopy (AES) and density functional theory (DFT) calculations have been used to investigate the I2 adsorption on the Ni(110) surface. Dissociative adsorption takes place rapidly to form a c(2×2) layer at iodine coverage of 0.5 ML. DFT calculations show that hollow sites are energetically preferable ...
Added: October 25, 2019
Иванов С. С., Твердынин Н. М., Киселева И. Ю. et al., В кн.: Формирование специалиста в условиях региона: новые подходы. Материалы XII Всероссийской межвузовской научной конференции, г. Тамбов, 21-22 ноября 2012 г. В 2 ч.Ч. 1.: Тамбов: МИНЦ «Нобелистика», 2012. С. 36–38.
Адсорбция как физико-химическое явление имеет широкое применение в промышленности и постановка такой лабораторной работы в дисциплине «инженерная экология», «экология» является хорошей иллюстрацией к методам защиты окружающей среды и способствует пониманию сущности явления. Традиционное выполнение лабораторной работы основано на изучении адсорбции уксусной кислоты с различной концентрацией на активируемом угле, для чего необходимо титрование, что требует затрат ...
Added: January 25, 2013
Bykov D., Петров В., Касимцев А. et al., В кн.: Вакуумная наука и техника. Материалы XVIII научно-технической конференции.: М.: МИЭМ, 2011. С. 104–106.
Приведены результаты экспериментального определения кинетических констант химической реакции в термодинамической системе металл-газ для оценки сорбционных свойств пористых геттеров. ...
Added: April 27, 2012
Yakubov E., Nereto M., В кн.: Труды ХХI Международного совещания «Радиационная физика твердого тела» (Севастополь, 22-27 августа 2011 г.)Т. 1-2.: М.: ФГБНУ "НИИ ПМТ", 2011. С. 444–450.
Предложен метод оценки адсорбционного объема, средней плотности адсорбата, который опробован на шести системах. Метод опирается на экспериментально установленную зависимость предельной величины адсорбции от температуры, и основан на единственном постулате, согласно которому плотность адсорбата при критической температуре равна удвоенной критической плотности объемной жидкости. ...
Added: April 16, 2012