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Initial stage of the O2 adsorption on Ag(100): vacancies and local oxide formation
Physical Chemistry Chemical Physics. 2026. Vol. 28. No. 1. P. 47–51.
B.V. Andryushechkin, Павлова Т. В., В.М. Ш., Нартова А. В., Бухтияров В. И.
The early stage of molecular oxygen adsorption on the Ag(100) surface was reexamined with scanning tunneling microscopy (STM) and density functional theory. Using an oxygen-functionalized STM tip, we demonstrated that the simple interpretation of the individual objects randomly distributed over the surface as chemisorbed oxygen atoms is incompatible with the cross-shaped structures observed in atomic-resolution images in the current work. In our model, each feature is an oxide-like cross formed by two intersecting O–Ag–O–Ag–O chains, with oxygen atoms in vacancies in the Ag(100) layer. Furthermore, we found numerous oxygen-free vacancies randomly diffusing over the surface under the STM probe even at 77 K.
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
B. V. Andryushechkin, Pavlova T. V., Shevlyuga V. M. et al., Physics of Wave Phenomena 2025 Vol. 33 No. 6 P. 424–433
Adsorption of molecular oxygen on the Ag(111) surface at room temperature has been studied using scanning tunneling microscopy (STM), Auger-electron spectroscopy (AES), temperature programmed desorption (TPD), and density functional theory (DFT). In the early stage of adsorption, the STM images show formation of a disordered phase in the form of dark spots (local oxide (Ag6O6) ...
Added: February 17, 2026
B.V. Andryushechkin, Denisenkov V. S., Komarov N. S. et al., Surface Science 2025 Vol. 760 Article 122769
Adsorption of iodine on Ag(110) has been studied in ultra high vacuum with room temperature scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) in combination with density functional theory (DFT) calculations. It was found that at low coverages iodine forms structure. Further adsorption of iodine leads to compression of atoms in the troughs along direction and formation of domain walls separating domains. As ...
Added: February 17, 2026
Vishnevskaya N., Zudina A. A., Мировая экономика и международные отношения 2026 Т. 70 № 5 С. 96–106
In 2023–2024 OECD labor markets were generally recovering in terms of employment and unemployment rates after the previous stagnation during the COVID-19 pandemic. However, the existence of a significant array of unfilled jobs remains one of the acute economic problems, affecting most OECD countries, as well as a considerable number of industries and occupations. Such ...
Added: January 22, 2026
Tissen M., Kushchuk L., Bagzhanov D. et al., The Journal of Physical Chemistry Letters 2026 Vol. 17 No. 2 P. 466–475
Recently, there has been a lot of interest in two-dimensional materials with intrinsic magnetism as potential platforms for the next generation of spintronic devices. Structural defects, that is, point atomic defects in the crystal structure, play a significant role in modulating the electronic and magnetic properties of two-dimensional materials. To gain a better understanding of ...
Added: January 2, 2026
I. N. Senchikhin, Konarev P. V., Volkov V. V. et al., Journal of Chemical Physics 2025 Vol. 162 No. 9 Article 094307
The behavior of silver nitrate in non-aqueous liquid oligomeric media—aromatic and aliphatic diglycidyl ethers and aliphatic diamine—hasbeen investigated. By employing UV–visible spectrophotometry and dynamic light scattering, it has been shown that in diglycidyl oligomers,regardless of the nature of the monomeric unit, the formation of silver nanoparticles occurs, and the kinetics of this process has been ...
Added: March 10, 2025
Kapeliushnikov R., / Высшая школа экономики. Серия WP3 "Проблемы рынка труда". 2024. № WP3/2024/05.
The unique situation that has developed in the Russian labor market in the 2020s is examined through the prism of the Beveridge curve. The key event in this period was the emergence of a massive overhang of vacant jobs, which has already reached 8%. The analysis shows that a dramatic upward shift in the Beveridge ...
Added: December 18, 2024
Kapeliushnikov R., / Высшая школа экономики. Серия WP3 "Проблемы рынка труда". 2024. № WP3/2024/02.
The paper explores the key development in the Russian labor market of the 2020s – emergence of a massive overhang of vacant jobs, which has already reached a record level of 7 percent. The paper discusses theoretical aspects of the problem of labor “shortage”, examines probable triggers for the vacancy escalation, and analyzes its dynamics and ...
Added: December 18, 2024