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NMR diffusion studies of proton-exchange membranes in wide temperature range
Journal of Membrane Science. 2020. Vol. 596. Article 117691.
Galitskaya E., Privalov A., Weigler M., Vogel M., Vitaly Sinitsyn
It is established that the values of the coefficients of self-diffusion of water in proton-exchange membranes at a fixed temperature and the amount of moisture content depend on the method of membrane manufacture, the length of the side chain (diameter of channels), but within the experimental error do not depend on the thickness of the membrane. It is shown that at low hydration, a "short-chain" membrane is more preferable for practical use in a fuel cell than a membrane with a long side chain.
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
Flamarion M. V., Pelinovsky E., Nonlinear Dynamics 2026 Vol. 114 Article 784
In this article, we investigate wave packet and solitary wave dynamics in the Whitham–Ostrovsky (WO) equation. By means of a multiple-scales expansion, we formally derive a nonlinear Schrödinger (NLS) equation governing the envelope evolution.The corresponding modulational stability diagram is then obtained using the Lighthill criterion. We show that sufficiently large values of the low-frequency dispersive term render ...
Added: June 5, 2026
Hazarika A. P., Das A., Das S. K. et al., Physica B: Condensed Matter 2026 Vol. 738 Article 418803
Lemon grass (Cymbopogon citratus, LG-SiO2), horsetail (Equisetum debile, SG-SiO2), and cassava leaves (Manihot esculenta, CL-SiO2) were used to green-synthesize silica (SiO2) nanoparticles (NPs). While LG-SiO2 and SG-SiO2 had strong (101) peaks and a large 22° amorphous peak, XRD of CL-SiO2 verified crystallinity. LG-SiO2 (agglomerated porous), SG-SiO2 (rectangular-cube agglomerates), and CL-SiO2 (flake agglomerates) had different morphologies. The TEM image of LG-SiO2 revealed agglomerated ...
Added: June 4, 2026
Novikov A., New Journal of Chemistry 2026 Vol. - No. - Article 0
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
Kornbleuth M., Opher M., Drake J. F. et al., Astrophysical Journal 2026 Vol. 1004 No. 1 Article 1
The shape of the heliosphere, regarded as comet-like since the 1960s, has recently been the subject of intense debate in the last decade. There is disagreement as to whether the heliospheric tail extends to ∼10,000 au in a comet-like shape or if it is short (∼400 au) with a split. Energetic neutral atom (ENA) maps from ...
Added: June 3, 2026
Kartsev A., Nishant T., Saswata G. et al., Journal of Materials Chemistry C 2026 Article -
Overheating remains a critical limitation in high-performance electronic and computing systems,
necessitating the development of efficient thermal management fluids. In this work, a magnetically
responsive hybrid ferrofluid was developed by incorporating two-dimensional hexagonal boron nitride
(2D-hBN) nanosheets into a Mn–Zn–ferrite-based ferrofluid. The hybrid system retains magnetic
responsiveness while leveraging the high in-plane thermal conductivity and chemical stability of 2D-hBN
nanosheets. ...
Added: June 2, 2026
Fortuna A. S., A.I. Kartsev, Gorshenkov M. V. et al., Journal of Alloys and Compounds 2026 Vol. 1070 Article 188711
The τ-phase in Mn-Al-Ga alloys is a promising candidate for rare-earth-free permanent magnets. This study re-veals that the τ(γ₂)-phase in rapidly quenched Mn55Al36Ga9 ribbons contains a high density of dislocations, which
form antiphase boundaries (APBs). Using transmission electron microscopy and density functional theory, we
demonstrate that Mn atoms at these APBs couple antiferromagnetically. This antiferromagnetic interaction is
identified ...
Added: June 2, 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
Dikhtievskaya K., Argunov E., Kartsev A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 17 P. 4999–5004
In this study we revealed the effect of scandium doping on the electronic and superconducting properties of the MgB2 compound. Calculations demonstrate that Sc substitutes for Mg atoms, acting as an electron donor. Mg substitution diminishes the density of states in the σ-band and attenuates the electron–phonon coupling, thereby elucidating the reduction in critical temperature. Simultaneously, ...
Added: June 2, 2026
Duran E. ., Pulgar A., Izquierdo R. et al., Physica Status Solidi (A) Applications and Materials 2026 Vol. 223 No. 7 Article e202500942
Ceramic superconductors exhibit remarkable properties, including zero electrical resistance and potent magnetic behavior, operating at temperatures as high as the boiling points of liquid nitrogen (77 K) and liquid hydrogen (20 K). These characteristics position them as key enablers for sustainable technologies spanning electric propulsion, lossless energy transmission, advanced medical imaging, and quantum computation. This review presents ...
Added: June 1, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Hossein Vasigh S. A. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 13 P. 3978–3985
Water electrolysis is a key technology for sustainable energy conversion and hydrogen generation. Recently, high-entropy oxides (HEOs) have emerged as promising materials because they allow tuning of structural, electronic, and catalytic properties in multifunctional systems. Here, we report the synthesis of a multicomponent La(FeCoCuTiNiMnMgSnZn)O3 perovskite, and its hybridization with reduced graphene oxide (rGO) to form a ...
Added: June 1, 2026
Borisov V., Danilov V., Электросвязь 2025 № 12 С. 73–84
Представлены результаты математического моделирования процесса полевой эмиссии из катода малых размеров – одного из основных физических процессов, обеспечивающих работы многих электронных устройств, в частности FED-дисплеев (устройства, работающие на принципе полевой эмиссии), кантилеверов и т.д. Дается краткий обзор текущих результатов в области исследования, обосновывается актуальность задачи, приводятся примеры наиболее вероятного использования результатов решения задачи. Обсуждаются физические ...
Added: May 29, 2026
Jiang Q., Fang J., Chen J. et al., Science China Information Sciences 2026 Vol. 69 No. 6 Article 162402
Resonators based on nanoelectromechanical systems (NEMS) using two-dimensional (2D) materials with high-quality factors and excellent electrical control are critical for tunable coherent phonon dynamics, resonant sensors and wireless communications. However, their performance is fundamentally limited by the lack of a unified framework governing energy dissipation mechanisms and their electrical tunability. Here, we synergistically modulate both ...
Added: May 28, 2026
Elesin L., Shilov A., Jana S. et al., Advanced Functional Materials 2026 P. 1–10
Thermoelectric materials, long explored for energy harvesting and thermal sensing, convert heat directly into electrical signals. Extending their application to the terahertz (THz) frequency range opens opportunities for low-noise, bias-free THz detection, yet conventional thermoelectrics lack the sensitivity required for practical devices. Thermoelectric coefficients can be strongly enhanced near van Hove singularities (VHS), though these ...
Added: May 28, 2026
Jiménez-Grávalos F., Alexander S. Novikov, Pendás Á. M., Communications in Computational Chemistry 2026 Vol. 8 No. 2 P. 203–210
Chalcogen bonds (ChBs) are often interpreted as 𝜎-hole driven electrostatic interactions between a chalcogen atom and a Lewis base, yet their covalent character remains under active discussion. Here, we present a real-space, reference-free study of prototypical X2Ch···X– complexes (X = F, Cl; Ch = O, S) using the Interacting Quantum Atoms (IQA) energy decomposition within ...
Added: May 27, 2026
Uskov F., Korobkov S., Birin K. P. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 474 Article 116936
Oxidation of sulfides by singlet oxygen has been extensively studied, yet the structure-photoactivity relationship of these photosensitizers remains underinvestigated. In the present work the photocatalytic performance of a set of functionalized palladium(II) porphyrinates was comprehensively investigated in the photocatalytic oxidation of sulfides to reveal mutual influence of structural peculiarities onto the photosensitizing properties. The photophysical ...
Added: May 27, 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
Fominykh N., Stegailov V., Journal of Chemical Physics 2025 Vol. 163 No. 11 Article 114704
First-principles modeling of exciton dynamics coupled with lattice vibrations is important for understanding exciton mobility, which is crucial for various applications. In order to shed light on such coupled exciton–lattice dynamics, in this paper, we use a restricted open-shell Kohn–Sham approach, which is a computationally efficient method for electronic structure calculations in the lowest excited ...
Added: September 16, 2025
Kazantsev K., Toukach P., International Journal of Biological Macromolecules 2024 Vol. 282 Article 137042
Primary structure elucidation in glycobiology is strongly affected by published structure-reporting NMR signals, especially on the 13C nucleus. The glycan NMR simulation accuracy and machine learning outcome depend on the quality of the NMR signal assignment in glycan databases. Within our work on improving the data quality in the Carbohydrate Structure Database (CSDB), we have ...
Added: November 13, 2024
Ivchenko N., Lebedev V., Vergeles S. S., Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2024 Vol. 110 No. 1 Article 015102
Chaotic variations in flow speed up mixing of scalar fields via intensified stirring. This paper addresses the statistical properties of a passive scalar field mixing in a regular shear flow with random fluctuations against its background. We consider two-dimensional flow with shear component dominating over smooth fluctuations. Such flow is supposed to model passive scalar ...
Added: September 3, 2024
Khnkoian G. V., Nikolaev V. S., Stegailov V., Journal of Nuclear Materials 2024 Vol. 594 Article 155016
Microscopic description of solid Pb-O formation and dissolution in liquid lead coolant is important for the modelling of fast neutron reactors. For this purpose, in this work we develop interatomic potential models for lead melt with dissolved oxygen. Potentials fitting is based on \textit{ab initio} density functional theory (DFT) calculations and quantum molecular dynamics. Two ...
Added: April 18, 2024
Magnetic properties of LiCu3O3: A quasi-two-dimensional antiferromagnet on a depleted square lattice
Bush A. A., S. K. Gotovko, Ivanov V. Y. et al., Physical Review B: Condensed Matter and Materials Physics 2024 Vol. 109 No. 11 Article 115151
LiCu3O3 is a novel two-dimensional S=1/2 antiferromagnet with randomly depleted square lattice. The crystal structure contains two types of square planes with different Cu2+→Li+ substitution rates (20% and 40%). 7Li NMR and magnetization measurements performed on single crystals of LiCu3O3 revealed the occurrence of magnetic order at Tc1=123K and the change of the magnetic state ...
Added: March 27, 2024
Ivchenko N., Vergeles S. S., Журнал экспериментальной и теоретической физики 2023 Т. 163 № 5 С. 724–733
We study statistical properties of the passive scalar advection in a 2D flow that consist of a steady-state shear flow and a relatively weak smooth random component taking into account the effects of finite weak diffusion. The model is closely related to the dynamics of passive scalar transfer inside coherent vortices emerging as a result ...
Added: February 15, 2024