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Identification of montmorillonite particle edge orientations by atomic-force microscopy
Applied Clay Science. 2020. Vol. 186. Article 105442.
Kraevsky S. V., Tournassat C., Vayer M., Warmont F., Grangeon S., Ngouana-Wakou B. F., Kalinichev A. G.
Statistical information on the edge surface area and edge crystallographic orientation of clay nanoparticle surfaces is essential for proper accounting of the protonation-deprotonation reactions as a part of mechanistic surface complexation models. A combination of atomic-force microscopy (AFM) measurements and molecular dynamics computer simulations made it possible to quantify the relative contributions of the most frequently occurring montmorillonite edge surfaces to the total edge surface area. Edge surfaces normal to the [110] and [010] crystallographic directions are found to be the most abundant (~60% and ~20%, respectively), in agreement with previous estimations.
Belousov Y., Кискин М. А., Sidoruk A. et al., Australian Journal of Chemistry 2022 Vol. 75 No. 9 P. 572–580
Four new complexes [Ln(pfaa)3(H2O)2]n (Ln = Eu (1), Tb (2)) and [Ln2Cd2(pfaa)10 (phen)2(EtOH)2]·2MeCN (Ln = Eu (3), Tb (4), phen = 1,10-phenanthroline) based on pentaphorphenylacetic acid (Hpfaa) have been prepared and completely investigated. The structures of compounds 1 and 3 were studied by single crystal X-ray diffraction analysis: the isostructural complexes 1 and 2 represent ...
Added: August 26, 2026
Shabanov N., Kuricheva O., Kurbatova J. et al., / Series Working Papers SSRN "Department of Economics Ca’ Foscari University of Venice". 2026.
The carbon balance of an ecosystem is the difference between Gross Primary Productivity (GPP) and Ecosystem Respiration (Reco) as expressed by Net Ecosystem Exchange (NEE). While remote sensing retrievals of GPP have reached maturity, Reco estimation remains underexplored and ultimately cast bias on NEE. Here we present an end-to-end multi-scale analysis of the mechanism of ...
Added: August 21, 2026
Mazur D., Brandyshev P., Doronin S. V. et al., Electrochimica Acta 2026 Vol. 577 Article 149729
The electric double layer (EDL) at a single-crystal metal surface is controlled not only by the electrolyte composition and the electrode potential, but also by the atomic structure of the surface itself. This makes the Ag(hkl)/NaF interface a stringent test for continuum theories of the EDL. In the third part of our series, we examine ...
Added: August 20, 2026
Gorbacheva A., Krenke A., Puzachenko M. et al., Geoderma Regional 2026 Vol. 46 Article e01124
Legacy soil maps remain essential for national land-use planning. However, their thematic accuracy and spatial resolution are often insufficient for contemporary applications requiring reliable estimates. This study presents a digital soil-mapping approach to update legacy soil information without extensive field sampling, demonstrated for arable lands in the Republic of Tatarstan (4.5 million ha). The proposed ...
Added: August 18, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 Article 064506
A self-consistent statistical-mechanical theory of the Hall effect in electrolyte solutions is developed by extending the self-consistent Debye–Hückel–Onsager (SCDHO) framework to crossed electric and magnetic fields. The theory incorporates non-local ionic charge distributions via Slater-type form factors, regularizing the Coulomb interaction at short range, and accounts for dielectric friction through ion-specific coefficients, employing experimental values ...
Added: August 12, 2026
Novikov A., New Journal of Chemistry 2026 Vol. 50 P. 13931–13957
The rational design of coinage metal nanocarriers requires a mechanistic understanding of metal-drug binding and predictive descriptors that translate molecular interactions into design rules. Using DFT (B3LYP-D3BJ/def2-TZVP, SMD water), we systematically investigated the binding of 5-fluorouracil (5-FU) and levodopa (l-DOPA) to neutral and cationic homo- and heteronuclear dimers of Au, Ag, and Cu (Au2, Ag2, ...
Added: August 12, 2026
Shartova N., Mironova E., Geo Journal 2026 Vol. 91 Article 78
The historical timeline of urban development profoundly shapes the contemporary form and functionality of cities. Traditionally, cities were planned with limited consideration for the promotion of a healthy urban environment. Using Nizhny Novgorod, Russia, a city that has evolved from a medieval market town to an industrial centre and later into a multifunctional city with ...
Added: August 9, 2026
Tsydypova M., Современные проблемы дистанционного зондирования Земли из космоса 2026 Т. 23 № 3 С. 263–275
The article presents a methodology for mapping coniferous forest decline, based on the integration of automated remote sensing data interpretation techniques, vegetation indices, remote sensing data on above-ground biomass (Biomass CCI (Climate Change Initiative)), and materials from ground-based forest pathology surveys using forests of the Khamar-Daban ridge (Republic of Buryatia) as a case study. The ...
Added: August 9, 2026
Sandlerskiy R., Elsevier, 2026.
Encyclopedia of Ecology, Third Edition, Four Volume Set - with over 300 chapters - once again provides a comprehensive reference work covering the current ideas and practices in ecology.
Ecology is the ideal field for studying complex, adaptive, and self-organizing systems and by observing and understanding ecosystems, it provides valuable insights into creating sustainable systems. This knowledge is ...
Added: August 9, 2026
Kotenko M., Zaytsev A. I., Pelinovsky E., Pure and Applied Geophysics 2026 Vol. 183 No. 6 P. 2681–2695
On July 29, 2025, a strong earthquake near Kamchatka (Russia) generated a tsunami that spread across the entire
Pacific Ocean. The tsunami had its strongest impact on the coast of the North Kuril Islands (Paramushir and Shumshu), causing significant destruction. During the first days after the earthquake, a field survey of tsunami traces on these islands was conducted in the area ...
Added: August 3, 2026
Voropaeva D., S. Novikova, I. Stenina et al., Solid State Ionics 2026 Vol. 445 Article 117288
Composite gel polymer electrolytes based on a perfluorinated sulfonic acid cation-exchange MF-4SC membrane
containing surface-sulfonated nanoparticles of aluminum oxide, cerium (IV) oxide, and titanium oxide (sAl2O3,
sCeO2, and sTiO2, respectively) were prepared by casting from a dispersion in N,N-dimethylformamide and
plasticized with a 1,3-dioxolane/1,2-dimethoxyethane mixture. The influence of the filler nature on ionic conductivity,
solvent uptake, activation energy, lithium ...
Added: July 30, 2026
Kivalov S., Legacy Theses & Dissertations (2009 - 2024), 2024.
An observed 20-30% increase in forest net ecosystem exchange (NEE) on partly cloudy days is often attributed to there being more uniform canopy illumination by diffuse radiation when clouds are present. However, the sky on such days is typically populated by fair-weather cumulus clouds, bringing dynamically changing shadow-to-light conditions on the order of minutes to ...
Added: July 24, 2026
Korogod D., Shapeev A., Ivan S. Novikov, 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
Stepanov A., Kivalov Sergey N., Vasenev I., Sustainability 2026 Vol. 18 No. 13 Article 6879
The carried-out microfield model research was aimed at identifying patterns in the dynamics of soil CO2 effluxes depending on the locally occurring hydrothermal regimes of regenerated lawn ecosystems on peat-sand substrates with different peat contents. Monitoring was carried out every ten days from 21 April 2019 to 30 October 2019 and included measurements of soil ...
Added: July 8, 2026
Taye B. Z., Zhu J., Liu Z. et al., Materials Science and Engineering: R: Reports 2026 Vol. 171 Article 101262
Wide-bandgap (WBG) perovskites used in monolithic tandem solar cells are limited by nonradiative recombination losses and operational instability originating from defect formation during crystallization and their subsequent evolution under illumination. Here, we show that defect formation can be regulated at the precursor stage by coordination chemistry, instead of relying only on post-crystallization passivation. A fluorinated ...
Added: July 1, 2026
Khnkoian G., Galigerov V., Grishichkin Y. et al., , in: Parallel Computational Technologies, 19th International Conference, PCT 2025, Moscow, Russia, April 8–10, 2025, Revised Selected Papers. (CCIS, volume 2891)Vol. 2891.: Springer, 2026. P. 532–545.
This work presents atomic-scale modeling of the perturbed flow of a Lennard-Jones fluid in a quasi-two-dimensional system containing one billion atoms. A statistically stationary flow regime corresponding to a Reynolds number of Re ≈ 1000 has been achieved, the flow structure has been analyzed, and the energy spectrum of velocities has been calculated. The results ...
Added: May 19, 2026
Гущина В. А., / Series chemrxiv-2023-vpzhz-v2 "ChemRxiv". 2023.
All-inorganic perovskite CsPbBr3 and Cs4PbBr6 nanoparticles are being intensively studied due to their unique properties and wide range of applications; however, however, the nature of their optical properties is not yet fully understood due to the difficulty of synthesis of singlephase nanoparticles. In this article we describe the features of the synthesis of single-phase particles ...
Added: May 14, 2026
Мальцева В. Е., Милевская А. В., Милевский Н. А. et al., Теоретические основы химической технологии 2025 Т. 59 № 3 С. 13–22
Проведено квантово-химическое моделирование механизма экстракции Fe(III) из солянокислого раствора с использованием гидрофобных эвтектических растворителей на основе 1-октанола. Установлено, что путь реакции существенно различается в зависимости от того, является ли инертный компонент донором или акцептором водородной связи в димере с октанолом. На основе оценки прочности водородных связей показано, что более слабое взаимодействие между компонентами упрощает протекание ...
Added: May 13, 2026
Гущина В. А., Russian Journal of Inorganic Chemistry 2024 Vol. 69 No. 6 P. 940–948
Currently, ABX3 nanoparticles (NPs) based on lead halides attract the attention due to their unique optical properties and a wide range of applications. The preparation of NPs with lead as a partial or complete replacement is particularly interesting because of the toxicity of this chemical element and most of its compounds. In this study, we propose a ...
Added: May 6, 2026
Pilé I., Deng Y., Shchur L., / Series arXiv "math". 2026. No. 2604.10254.
We investigate the spatial overlap of successive spin configurations in Markov chain Monte Carlo simulations using the local Metropolis algorithm and the Svendsen-Wang and Wolff cluster algorithms. We examine the dynamics of these algorithms for two models in different universality classes: the Ising model and the Potts model with three components. The overlap of two ...
Added: April 20, 2026
Luo S., Bi Z., Xiong L. et al., Energy and Environmental Sciences 2026 Vol. 19 No. 6 P. 2069–2083
The insufficient coverage of self-assembled monolayer (SAM) and inadequate control of the buried interface of perovskite still limited the performance of perovskite solar cells (PSCs). Herein, we report a reinforcing SAM and managing perovskite buried interface strategy using ethylenediamine tetramethylenephosphonic acid (EAPA) to address these challenges. Firstly, the EAPA solution washes away the unbound or ...
Added: February 25, 2026
Mikhail R. Samatov, Liu D., Emir S. Amirov et al., The Journal of Physical Chemistry Letters 2025 Vol. 16 No. 51 P. 13068–13074
Ion migration at grain boundaries (GBs) is a key issue leading to the performance degradation of metal halide perovskites (MHPs). Given the weak lattice interactions, the properties of MHPs are highly sensitive to external strain, which is inevitable in practical applications. Nevertheless, a fundamental understanding of the GB behavior under strain is still lacking. Using ...
Added: December 20, 2025
Babicheva R., Kumar A., Kiran R. et al., Metallurgical and Materials Transactions A: Physical Metallurgy and Materials Science 2025 Vol. 56 P. 5646–5663
In the work, simulations using Monte Carlo (MC) and molecular dynamics (MD) methods are carried out to investigate the Nb–Ta–Hf–Zr system refractory high-entropy alloys (HEAs). In particular, the effects of chemical composition and grain boundary (GB) network on short-range ordering (SRO) during combined MC/MD modeling of relaxation mimicking diffusion process are investigated on single-crystalline and ...
Added: November 27, 2025
Sharov V., Pavlov A., Eliseyev I. et al., Advanced Optical Materials 2025 Vol. 13 No. 30 Article e01821
Strain engineering is a powerful tool for the development of nanostructured semiconductor devices. In this work, the effect of high external elastic strain is investigated on the photoluminescence of GaN nanowires (NWs). Individual horizontal NWs are strained to bending strains up to 2.2% using an atomic force microscope (AFM) probe. Novel nanomanipulation techniques for mechanical ...
Added: November 12, 2025