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[B10H10]2– Nanoclusters Covalently-Immobilized to Hybrid SiO2 Aerogels for Slow Neutron Shielding Applications
ACS Applied Nano Materials. 2022. Vol. 5. No. 8. P. 11529–11538.
Yorov K., Zhdanov A., Kamilov R., Alexander E. Baranchikov, Kopitsa G., Pokrovskiy O., Vladimir K. Ivanov
An alkoxysilane derivative bearing 10-vertex closo-decaborate nanocluster (B10H102–) was successfully synthesized and immobilized in SiO2 aerogel matrix. closo-Decaborate-containing SiO2 aerogels showed high specific surface (~750 m2/g), open porosity (~95 %) and extremely low apparent density (80 mg/cm3) as well as increased thermal stability of closo-decaborate moiety. Despite the low boron content (~1.2 mol.% of boron nanoclusters comprising natural mixture of boron isotopes), the aerogel nanomaterial demonstrated excellent neutron capture properties exceeding lightweight polymer-based analogues. Cell viability assessment indicated the pronounced dose-dependent toxicity of borylated aerogel with respect to malignant cells (U251 MG glioblastoma line), and low toxicity with respect to normal cells (dental pump stem cells). The combination of the properties of closo-decaborate modified silica aerogels make them good candidate material for shielding of patients and healthcare personnel during boron neutron capture therapy procedures.
Keywords: aerogel
Korogod D., Shapeev A., Novikov I., Physical Review B: Condensed Matter and Materials Physics 2026 Vol. 114 No. 2 Article 024104
We present two models with explicit long-range electrostatics in the form of Coulomb interactions. Both models include point charges depending on their local atomic environments, and the second model also conserves a total charge of an atomic system. We combine the proposed long-range models with the local moment tensor potential (MTP) and demonstrate that they ...
Added: July 22, 2026
V.I. Voitovich, I.S. Makhov, Andryushkin V. V. et al., Journal of Luminescence 2026 Vol. 295 Article 121936
We report on a comparative study of the optical and structural properties of short-period superlattices (SPSLs) based on digital ternary InGaAs/InAlAs alloys and their counterparts with quaternary InGaAlAs barriers, both grown on InP substrates and emitting in the 1.3 μm wavelength range. The heterostructures were grown by molecular beam epitaxy and analyzed using photoluminescence spectroscopy ...
Added: July 8, 2026
Babichev A., Bobrov M., Vasil'ev A. et al., Applied Physics Letters 2026 Vol. 128 Article 241102
High-quality planar cavities with low-absorption mirrors based on Al0.2Ga0.8As/Al0.9Ga0.1As layers demonstrate continuous wave lasing at a wavelength of 956 nm. At 300 K, the threshold power density and the quality-factor at the threshold are 4.2 kW/cm2 and 6800. Increasing the pump level above two thresholds results in an enlargement in the quality-factor to at least 19 ...
Added: July 8, 2026
Moshkina E., Molokeev M., Zolotov A. et al., Journal of Alloys and Compounds 2026 Vol. 1077 Article 189412
A wide series of substitutions in a subsystem of small radii cations M = Al, Cr, Fe, Ga, Sc is possible in rare-earth borates ReM3(BO3)4 with the huntite structure. However, the existence of these compounds where M = Mn still raises doubts. The study presents a synthetic approach developed in the framework of the flux method allowing for the required ...
Added: June 29, 2026
Schneider M., Zaripov D., Dokin R. et al., Journal of Chemical Theory and Computation 2026 Vol. 22 No. 9 P. 4405–4414
Density functional theory (DFT) is the workhorse of modern reactions and materials modeling. While the exact functional remains unknown, many approximations to it have been constructed either by hand-crafting functional forms to satisfy exact constraints or by machine learning. In this work, we show how both of these approaches can be fused to build both ...
Added: June 26, 2026
Laurinavichyute V., Levin E. E., Mironkova A. A. et al., Surfaces and Interfaces 2026 Vol. 81 Article 108389
In this work we characterize mixed Mo-W acidic deposition solutions with Mo content ranging from 0 to 100 mol.% by Raman and UV–Vis spectroscopy. The obtained distribution diagram of mixed isopolyanions allows one to explain the observed change in film deposition rate with increase in Mo content. It was found that the initial decrease in ...
Added: June 24, 2026
Filippova A. V., Yurchenko N. Y., Smirnov S. A. et al., Journal of Alloys and Compounds 2026 No. 1074 Article 189162
This study investigates the effects of post-processing heat treatment at 300–500 °C on the microstructure, hardness, and tensile properties of laser powder bed fusion (PBF-LB) processed Al-bronze processed with energy densities (ED) in the range of 125–938 J/mm3. In the as-printed state, sharp needle-like α + β′ laths form at lower ED whereas with increasing ED, the β′ ...
Added: June 12, 2026
Obijiofor O., Novikov A., New Journal of Chemistry 2026 Vol. 50 No. 23 P. 9749–9768
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
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
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
Chowdhury U., Mondal S., Dey S. et al., Journal of the american chemical society 2026 Vol. 148 No. 23 P. 24538–24550
Covalent functionalization offers a versatile platform to engineer carbon nanotube properties for optoelectronics applications. We demonstrate by atomistic quantum dynamics simulation that covalent functionalization can renormalize the CNT band gap, split the degenerate CNT band edge states, and strongly influence charge carrier separation and recombination dynamics. Open-ring CNT functionalization (O-CNT) largely retains the π-conjugation, whereas ...
Added: June 1, 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
Mezentsev I., Dudarova N., Druzina A. et al., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 479 Article 117316
Novel cobalt bis(dicarbollide) based terminal alkynes with charge-compensated group in a spacer were synthesized by the nucleophilic ring-opening reactions of cyclic oxonium derivatives of cobalt bis(dicarbollide) with N,N-dimethylbut-3-yn-1-amine. A series of zwitterionic conjugates of cobalt bis(dicarbollide) with BODIPY were synthesized using the copper(I)-catalyzed azide-alkyne cycloaddition reaction. The absorption-emission spectra of the synthesized fluorescent conjugates of cobalt ...
Added: May 27, 2026
Toukach P., Smirnova N. S., Zdorovenko E. L. et al., Analytical Chemistry 2026 Vol. 98 No. 15 P. 10988–10996
Pyruvylation is one of the immunochemically relevant modifications of O-antigens in bacterial and fungal cells. Therefore, fast and relatively simple analytical methods for identifying this modification are highly demanded. 13C NMR spectroscopy is the best candidate for this purpose, but its successful application requires using reference structures and reliable databases. In this work, we collected ...
Added: May 25, 2026
Зверева О., Kliuev F., Lebedeva N. et al., Organic Letters 2025 Vol. 27 No. 50 P. 13711–13716
Added: May 23, 2026
Дмитриев В. В., Петрова Д. В., Солдатов А. А. et al., Успехи физических наук 2024 Т. 194 № 12 С. 1310–1319
The article presents the results of experiments in superfluid 3He, performed using a vibrating wire resonator with a nematic aerogel glued to it, which allowed detecting transitions of He to new superfluid phases: to the polar phase, β-phase, and the distorted A- and β-phases. Experiments on observing the A1-phase in a nematic aerogel are also ...
Added: November 8, 2024
Dmitriev V. V., Kutuzov M. S., Soldatov A. A. et al., Physical Review B: Condensed Matter and Materials Physics 2023 Vol. 107 No. 2 Article 024507
We present the results of high magnetic field experiments in pure 3He (in the absence of 4He coverage) in nematic aerogel. In this case the aerogel strands are covered with few atomic layers of solid paramagnetic 3He, which enables the spin-exchange mechanism for 3He quasiparticles scattering. Our earlier NMR experiments showed that in low fields, ...
Added: January 16, 2024
Kameneva S.V., Popkov M. A., Tronev I.V. et al., Nanosystems: Physics, Chemistry, Mathematics 2022 Vol. 13 No. 4 P. 404–413
In this work, we report the first synthesis of photochromic aerogels and films based on TEMPO-oxidized cellulose and chitosan modified with tungsten trioxide nanoparticles. The blue coloring of aerogels based on WO3-modified biopolymers under UV light occurs due to the reduction of WO+6 to WO+5. The coloration of films of the same composition occurs due to ...
Added: November 10, 2023
Zhukov A., Гурьев В. В., Жолудов В. С. et al., М.: МИСИ – МГСУ, 2021.
The monograph summarizes and systematizes the results of experimental and theoretical studies of thermal insulation in industrial structures, technological facilities, pipelines and building structures. Modern types of thermal insulation materials based on heat-resistant gas-filled plastics, foamed glass, foamed rubber, aerogels and products made of mineral fibers are considered.
The basic ideas about the morphology of gas—filled ...
Added: January 31, 2023
Dmitriev V. V., Kutuzov M. S., Soldatov А. А. et al., JETP Letters 2020 Vol. 112 No. 12 P. 780–785
We present experiments on nematic aerogel oscillating in superfluid 3He. This aerogel consists of nearly parallel mullite strands and is attached to a vibrating wire moving along the direction of the strands. Previous nuclear magnetic resonance experiments in 3He confined in similar aerogel sample have shown that the superfluid transition of 3He in aerogel occurs into the polar ...
Added: October 29, 2022