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Гидрирование интерметаллического соединения TiFe в присутствии твердого раствора водорода TiFeH~0.1
Журнал прикладной химии. 2024. Т. 97. № 1. С. 37–44.
Фокин В. Н., Фурсиков П. В., Фокина Э. Э., Лотоцкий М. В., Tarasov B. P.
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Shi R., Yu Y., Chibisov A., International Journal of Hydrogen Energy 2025 Vol. 107 P. 52–62
Cyanide containing wastewater can cause livestock death and reduce agricultural production and electrochemical reduction of cyanide (CNRR) is a promising way to eliminate its harm and turn waste into valuable products. However, the reaction mechanism and function of electrocatalysts for CNRR have not been fully understood yet. Herein we identify a two-dimensional (2D) conductive copper-organic ...
Added: October 11, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73
We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...
Added: September 28, 2026
Li Y., Han J., Zaman N. et al., ACS Applied Materials & Interfaces 2026 Vol. 18 No. 39 P. 54241–54251
The development of lead sulfide (PbS) quantum dot (QD) photodetectors for short-wave infrared (SWIR) applications has been fundamentally limited by the thermodynamic instability of large PbS QD facets, which leads to aggregation and epitaxial fusion. In this work, robust thermodynamic stabilization was achieved by introducing methylammonium chloride (MACl) in PbS QD surface passivation, as validated ...
Added: September 26, 2026
Marin G., Zvereva E., Ilyushin P. et al., International Journal of Hydrogen Energy 2026 Vol. 242 P. 1–11
In the modern world, one of the central challenges is to create a reliable and sust-ainable energy system capable of meeting the needs of remote and hard-to-reach regions. Russia is distinguished by vast territories with harsh climatic conditions - such as the Arctic and other northern regions -where ensuring a steady supply of energy resources ...
Added: September 23, 2026
Zhou W., Lu Y., Jia Z. et al., Russian Journal of Applied Chemistry 2025 Vol. 98 No. 12 P. 640–651
The hydrocarbon fuel conversion in a fi ltration combustion reactor with a moving solid bed to produce
hydrogen is theoretically investigated. The process can be implemented in reactors with energy recovery with
separate supply of reagents. The entire process in the reactor can be divided into two zones: the fuel pyrolysis zone
and the hydrogen partial oxidation zone. ...
Added: February 19, 2026
Тарасюк И. А., Филиппов Д. В., Vashurin A., Журнал общей химии 2023 Т. 93 № 9 С. 1439–1444
The sol-gel method was used to obtain materials deposited with cobalt and nickel phosphides of the general formula Me2P and iron phosphide on highly porous silica (S ud 811 m2/g). The advantage of the methods of obtaining materials considered in the work is the absence of the need to use structure-forming substances such as surfactants. ...
Added: September 16, 2025
Кузьминых И. О., Kuzin A., Флоря И. Н. et al., Нано- и микросистемная техника 2025 Т. 27 № 4 С. 184–194
В работе рассмотрены основные варианты детектирования водорода, а также приведены требования, которые предъявляются к сенсорам водорода. Проанализированы преимущества и недостатки существующих решений по детектированию водорода и проведен сравнительный анализ основных метрик коммерчески доступных сенсоров водорода. Было установлено, что оптические сенсоры преодолевают основную проблему существующих сенсоров – использование электрического тока в чувствительной зоне сенсоров. Данная обзорная ...
Added: April 30, 2025
Озерский А. В., Отнельченко В. В., Никитин А. В. et al., Журнал прикладной химии 2024 Т. 97 № 4 С. 294–308
Показана стабильность матричной конверсии пропан-бутановой смеси в синтез-газе при использовании в качестве окислителя атмосферного воздуха. Исследовано влияние количества кислорода в
окислителе на деградацию материала фехралевой матрицы (проволока состава Fe — 23%, Cr — 4%,
Al). Выявлено, что устойчивость фехралевой проволоки в условиях матричной конверсии пропан-бутановой смеси снижается при увеличении степени обогащения воздуха техническим кислородом.
С использованием растровой и ...
Added: February 24, 2025
Лотоцкий М. В., Дэвидс М. В., Фокин В. Н. et al., Теплоэнергетика 2024 Т. 71 № 3 С. 85–101
The development of compact, safe, and efficient methods for storing hydrogen is one of the key problems of hydrogen energy. Currently used technologies for storing hydrogen in the form of compressed gas or cryogenic liquid require significant capital investments and maintenance costs for compressor and cryogenic equipment, are characterized by high energy costs, and their ...
Added: June 19, 2024
Minko K., Lototskyy M., Bessarabskaya I. et al., International Journal of Hydrogen Energy 2024
CFD modelling of heat-and-mass transfer in metal hydride (MH) beds is an important step in the development
and optimisation of MH reactors for hydrogen storage, compression and separation/purification. In the existing
models, the mass conservation equation includes the density of solid in the non-hydrogenated (ρs) and hydrogensaturated (ρss) states. To provide constant porosity of the MH bed during ...
Added: June 18, 2024