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Layered P2-type Na2/3Ni1/3Mn2/3O2: conductivity and electrochemical characteristics
Ionics. 2024. Vol. 30. P. 6151–6161.
The cathode material of Na2/3Ni1/3Mn2/3O2 composition (NNMO) was obtained by the carbonate coprecipitation followed by solid-phase reaction and characterized by XRD analysis, ICP-MS, electron and impedance spectroscopy. NNMO crystallizes in a P2-type layered hexagonal structure (sp. gr. P63/mmc), consists of spherical agglomerates of ~1 - 3 microns in size, formed from the plate-like primary grains. The particles have the smallest size in the direction of the crystallographic "c" axis. The NNMO ionic conductivity value at room temperature was 1.8*10−4 and 1.3*10−4 S cm−1 when measured perpendicularly and parallel to the compression axis, respectively. The activation energy determined from impedance spectroscopy data was equal to the value of ~21 kJ mol−1. The estimated in dc mode values of electronic conductivity were by 2-3 orders of magnitude less than ionic conductivity. The obtained materials were tested as cathodes in sodium-ion battery cells versus sodium metal. The discharge capacity of NNMO was 160 mAh g−1 and 86 mAh g−1 in the potential range of 1.5-4.0 V and 2.3-4.0 V, respectively (20 mA g−1). NNMO was shown to be stable under cycling in the potential range of 2.3-4.0 V.
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
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
Pushkareva I., Wu Z., Liu X. et al., ACS Applied Materials & Interfaces 2025 Vol. 17 No. 22 P. 32216–32227
Electrolytic hydrogen production using abundantwater and renewable electricity is a key step toward achieving a carbon-neutral economy.Anion-exchange membrane water electrolyzers AEMWE)present an opportunity toenhance sustainability and reduce the costs of green hydrogen technology. This studyfocuses on reducing electrical losses in the AEMWE by designing an improved anode catalyst layer. The approach involves modifying nickel foam ...
Added: March 9, 2026
Chetyrkina M. R., A Butt H., Bulavskiy M. O. et al., Advanced Engineering Materials 2024
Added: February 10, 2026
Gliaudelis G., Lukyanchuk V., Chtchelkatchev N. et al., Journal of Chemical Physics 2025 Vol. 162 No. 2 Article 024504
The properties of the hydrogen fluid at high pressures are still of interest to the scientific community. The experimentally unreachable dynamical properties could provide new insights into this field. In 2020 [Cheng et al., Nature 585, 217–220 (2020)], the machine-learned approach allows the calculation of the self-diffusion coefficient in the warm dense hydrogen with higher ...
Added: May 13, 2025
Zaitsev-Zotov S., Review of Scientific Instruments 2024 Vol. 95 No. 6 Article 063905
A biaxial tensile device for the transport study of layered materials is described. The device is mounted on the standard 24 pin zero force connector and can be moved between various setups. The compact design of the device makes it suitable for a wide range of studies. In our case, it is placed inside a ...
Added: February 25, 2025
Orlova E., Kostanyan L., Trukhacheva M. et al., CrystEngComm 2024 Vol. 26 No. 25 P. 3424–3430
The Sm2MoO6 compounds, also known as oxymolybdates, were synthesized in air using a solid-phase method. A series of techniques were employed to characterize the undoped and, for the first time, lead-doped samples. It has been demonstrated that lead-containing samples form a wide range of solid solutions, which are isostructural (sp. gr. C2/c) to the pure ...
Added: June 24, 2024
Orlova E. I., Trukhacheva M. P., Sorokin T. A. et al., Crystallography reports 2024 Vol. 69 No. 2 P. 199–205
Rare-earth molybdenum-containing oxides of the nominal composition LixNd5-xMo3O6±δ (x = 0, 0.05, 0.15, 0.25) with a fluorite-related structure have been obtained for the first time as single crystals grown from flux and by solid-phase synthesis in air in the form of polycrystalline samples. The new phases are characterized using X-ray diffraction analysis, simultaneous thermal analysis, ...
Added: May 24, 2024
Orlova E., Morkhova Y., Egorova A. et al., Physical Chemistry Chemical Physics 2024 Vol. 26 No. 9 P. 7772–7782
The conductive properties of fluorite-like structures KLn4Mo3O15F (Ln = La, Pr, Nd: KLM, KPM, KNM) have been studied theoretically and experimentally. Theoretical studies included the geometrical-topological analysis of voids and channels available for migration of working ions; bond valence site energy calculations of the oxygen ions’ migration energy; quantum-chemical calculations for the estimation of the ...
Added: February 28, 2024
Zhigileva E., Enakieva Y., Sinelshchikova A. et al., Dalton Transactions 2023 Vol. 52 No. 24 P. 8237–8246
Hydrogen-bonded organic frameworks (HOFs) possessing high crystallinity, simple synthetic procedure and easy regeneration provide high efficiency as multifunctional systems, including applications as proton conductors. Porphyrinylphosphonates having acidic moieties, which can form multiple hydrogen bonds, together with tunable physical–chemical properties of a macrocycle may significantly improve the proton conductivity of such materials. Herein, the synthesis, characterization ...
Added: October 18, 2023
Kudryashova Y., Gavrilin I., Tatiana L. Kulova et al., Mendeleev Communications 2023 Vol. 33 No. 3 P. 318–319
A new electrochemical system for sodium-ion batteries, sodium iron-manganese phosphate–germanium nanowires,
has been developed and tested. The laboratory batteries possessed an average discharge voltage of ~2.0 V and an
energy density based on the weight of active materials to 210 Wh kg–1. ...
Added: April 13, 2023
Tatiana L. Kulova, Skundin A., Gavrilin I. et al., Batteries 2022 Vol. 8 No. 8 Article 98
Nanostructure composites Ge-Co-P with brutto-composition CoGe2P0.1, or CoGe2@GePwere manufactured via electrolysis of aqueous electrolyte. Such composites are able to reversibleinsertion of lithium and sodium with specific capacities up to 855 and 425 mAh/g, respectively. Themain advantage of the composites consists in their excellent cycleability. ...
Added: January 21, 2023
Воропаева Д. Ю., Novikova S., Yaroslavtsev A. B., Успехи химии 2020 Т. 89 № 10 С. 1132–1155
Рассмотрены полимерные электролиты для литий- и натрий-ионных аккумуляторов. Прогресс исследований в этой области обусловлен потребностью создания твердотельных аккумуляторов, характеризующихся безопасностью и стабильностью. Результатом работ является синтез ряда электролитов с проводимостью не менее 10-4 См∙см-1 при 25°С. Описаны основные типы полимерных электролитов: типа полимер/соль, с добавкой неорганических частиц и анионных акцепторов, а также полимерные электролиты на ...
Added: November 25, 2022
Yaroslavtsev A. B., Novikova S., Voropaeva D. et al., Batteries 2022 Vol. 8 No. 10 Article 162
Polymer electrolyte based on Nafion-117 membranes in the Li+ form with intercalated
1,3-dioxolane-dimethoxyethane solvent mixtures (DOL-DME) has been obtained. The obtained electrolyte
Nafion-Li+-DOL-DME has been characterized by DSC analysis, IR- and impedance spectroscopy.
The solvent uptake of membrane in the DOL-DME mixture amounts to 1.9. Nafion-Li+-DOL-DME
is characterized by an ionic conductivity ~107 S cm1 at room temperature. The ...
Added: November 25, 2022
Norman G., Saitov I., Письма в Журнал экспериментальной и теоретической физики 2020 Т. 111 № 3 С. 175–180
Semimetal states of crystalline molecular hydrogen have been obtained at a temperature of 100 K in the pressure
range from 410 to 626 GPa. To analyze the nature of conductivity, the band structure is calculated in the
framework of the density functional theory using the Heyd–Scuseria–Ernzerhof hybrid exchange-correlation
functional. One of the semimetal states occurs in a monoclinic ...
Added: October 29, 2022
Agapov I., , in: Proceedings of 2022 IEEE Moscow Workshop on Electronic and Networking Technologies (MWENT).: M.: IEEE, 2022. P. 1–3.
The paper is devoted to the problem of space onboard equipment stability to the factors of internal charging. Spacecraft dielectrics should have increased conductivity to exclude physical possibility of electrostatic discharges in them when exposed to near-Earth plasma electron radiation. It is possible to achieve an increase in the conductivity of dielectrics by introducing a ...
Added: September 8, 2022