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Study of Delithiation Process Features in LixFe0.8M0.2PO4 (M = Mg, Mn, Co, Ni) by Mössbauer Spectroscopy
Journal of Physical Chemistry C. 2020. Vol. 124. No. 24. P. 13026–13035.
Studies of lithium iron phosphates doped with Mg, Mn, Co, and Ni were carried out at different
stages of electrochemical charging using 57Fe Mössbauer spectroscopy. Multi-spectrum fitting
method was used to analyze spectra measured at different temperatures. This made it possible to
detect and characterize various local states of iron cations with different cationic environments.
The feature of charging process that is caused by doping the samples is established. Doping of
LiFePO4 leads to formation of a large interphase boundary between lithiated and delithiated
regions where Fe2+ and Fe3+ cations coexist. Magnetic moments of divalent iron cations that are
located near this boundary exhibit relaxation properties. Based on the obtained results, a new
model of charge and discharge processes for doped samples was proposed explaining the increase
of charge/discharge rate. Within the framework of this model, regions with increased and
decreased concentrations of divalent ions are formed inside the particles of a cathode material
during delithiation and lithiation respectively. The coexistence of Fe2+ and Fe3+ ions and, as a
consequence, the formation of lithium defects at interphase boundaries determines the increase in
electronic and ionic conductivity at interfaces and rapid diffusion of lithium ions in the samples.
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
S. A. Novikova, Karpov M. S., A. B. Yaroslavtsev, Russian Journal of Electrochemistry 2025 Vol. 61 No. 12 P. 817–843
The state-of-the-art in investigations in the field of cathode materials based on lithium–cobalt double phosphate for lithium-ion rechargeable batteries is surveyed. The specific features of the LiCoPO4 crystal structure, the transfer rate of charge carriers, the main synthetic methods of preparation, and the electrochemical characteristics of LiCoPO4-based cathodes such as discharge capacity, charge–discharge rate, and cyclability ...
Added: February 17, 2026
Chen Y., Liu D., Xu X. et al., SMALL METHODS 2025 Vol. 9 No. 4 Article 2401178
Nickel-rich layered cathode materials, particularly LiNi0.8Mn0.1Co0.1O2 (NCM811), have garnered significant attention due to their high energy density and impressive electrochemical performance. However, their cycling stability is compromised at elevated voltages, primarily due to structural instability and interfacial degradation. In this study, lithium difluoro(oxalato)borate (LiDFOB) is introduced into a commercial electrolyte based on lithium hexafluorophosphate (LiPF6) to ...
Added: December 5, 2024
Li G., Liu Y., Schultz T. et al., Angewandte Chemie - International Edition 2024 Vol. 63 No. 8 Article e202400382
Lithium-ion batteries, essential for electronics and electric vehicles, predominantly use cathodes made from critical materials like cobalt. Sulfur-based cathodes, offering a high theoretical capacity of 1675 mAh g-1 and environmental advantages due to sulfur's abundance and lower toxicity, present a more sustainable alternative. However, state-of-the-art sulfur-based electrodes do not reach the theoretical capacities, mainly because conventional ...
Added: September 19, 2024
Sedykh V., Rusakov V., O. Rybchenko et al., Ceramics International 2023 Vol. 49 No. 15 P. 25640–25648
The changes in the substituted La0.5Sr0.5FeO3−γ orthoferrite under vacuum annealing in the temperature range of 200–650 °C have been studied by X-ray diffraction analysis, as well as Mössbauer and Raman spectroscopy. Annealing of the as–prepared ferrite with the rhombohedral structure (R 3‾ c) resulted in its transition to the cubic one (Pm 3‾ m) at 650 °C. In the as–prepared ferrite being paramagnetic ...
Added: February 13, 2024
Irina Stenina, Safikanov D., Minakova Polina et al., Batteries 2022 Vol. 8 No. 12 Article 256
The effect of different nitrogen-doped carbon additives (carbon coating from polyaniline,
N-doped carbon nanotubes, and N-doped carbon nanoparticles) on electrochemical performance
of nanocomposites based on the olivine-type LiFePO4 was investigated. Prepared materials were
characterized by XRD, SEM, TGA-MS, CHNS-analysis, IR-, Raman, and impedance spectroscopies.
Polyaniline deposition on the LiFePO4 precursor with following annealing lead to the formation of
a LiFePO4/C ...
Added: November 28, 2022
Voropaeva D., Svetlana Novikova, Trofimenko N. et al., Processes 2022 Vol. 10 No. 12 Article 2509
Lithium metal batteries are one of the more promising replacements for lithium-ion batteries
owing to their ability to reach high energy densities. The main problem limiting their commercial
application is the formation of dendrites, which significantly reduces their durability and renders
the batteries unsafe. In the present work, we used a single-ion conducting gel polymer electrolyte
based on a ...
Added: November 28, 2022
Voropaeva D., Ekaterina Yu. Safronova, Svetlana A. Novikova et al., Mendeleev Communications 2022 Vol. 32 No. 3 P. 287–297
Moving towards carbon-free energy and global commercialization of electric vehicles stimulated extensive development in the field of lithium-ion batteries (LIBs), and to date, many scientific and technological advances have been achieved. The number of research works devoted to developing high-capacity and stable materials for lithiumion and lithium metal batteries (LMBs) is constantly rising. This review ...
Added: November 25, 2022