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Overlooked impact of surface hydroxylation on the solubility of less-soluble compounds: a case study of CeO2
Environmental Science: Nano. 2024. Vol. 11. No. 8. P. 3551–3562.
Plakhova T., Romanchuk A., Konyukhova A., Seregina I., Baranchikov A., Ivanov V.
Unexpectedly, the solubility of CeO2 nanoparticles (NPs) at 25 °C does not depend on particle size, but is
significantly affected by the sample's thermal pre-treatment. The classical interpretation of NPs' solubility
proposed by the Gibbs–Thompson or Kelvin equations fails to describe the experimental data on CeO2
solubility obtained in this study. Thermal treatment did not change the samples' morphological
characteristics, while slightly affecting NP hydroxylation and local crystallinity. The differences in the
solubility of dried and non-treated CeO2 particles were most noticeable at pH < 4, and dissolved cerium
concentration was much lower in the case of the dried sample. After prolonged storage (up to 4.5 years)
of CeO2 NPs in aqueous media, the solubility of dried samples gradually increased, while for non-treated
samples it remained unchanged. Based on the example of CeO2, the dissolution laws of other less soluble
nanomaterials should be reconsidered.
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
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
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
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
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
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
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
Abramov V., Abramova A., Bayazitov V. et al., Processes 2022 Vol. 10 No. 10 Article 2063
Although water contamination with drug residues is a threat to public health, there are currently barely any effective methods of purifying water from pharmaceutical substances. In this study, continuous-flow sonoplasma treatment was used for the complete degradation of tetracycline and ciprofloxacin in polluted municipal water. The addition of CeO2 nanoparticles as catalysts significantly increased the degradation ...
Added: October 23, 2022
Alexander E. Baranchikov, Razumov M., Kameneva S. et al., Molecules 2022 Vol. 27 Article 5028
A method is proposed for the preparation of stable sols of nanocrystalline cerium dioxide in nonpolar solvents, based on surface modification of CeO2 nanoparticles obtained by thermal hydrolysis of concentrated aqueous solutions of ammonium cerium(IV) nitrate with residues of 2-ethylhexanoic and octanoic acids. The synthesis was carried out at temperatures below 100°C and did not ...
Added: October 13, 2022
Yurova P., Малахова В. Р., Gerasimova E. V. et al., Polymers 2021 Vol. 13 No. 15 P. 2513
Low chemical durability of proton exchange membranes is one the main factors limiting their lifetime in fuel cells. Ceria nanoparticles are the most common free radical scavengers. In this work, hybrid membranes based on Nafion-117 membrane and sulfonic or phosphoric acid functionalized ceria synthesized from various precursors were prepared by the in situ method for ...
Added: February 3, 2022
Sozarukova M., Proskurina E., Popov A. et al., RSC advances 2021 Vol. 11 No. 56 P. 35351–35360
Cerium dioxide nanoparticles have a special place among engineered nanomaterials due to the wide range of their enzyme-like activities. They possess SOD-, catalase- and peroxidase-like properties, as well as recently discovered phosphatase-, photolyase-, phospholipase- and nuclease-like properties. Advancing biomedical applications of CeO2-based nanozymes requires an understanding of the features and mechanisms of the redox activity ...
Added: November 2, 2021
Yurova P., Tabachkova N., Stenina I. et al., Journal of Nanoparticle Research 2020 Vol. 22 P. 318
The effect of the precursor and surface modification by sulfate and phosphate groups on the properties of cerium oxide was studied. The obtained materials were characterized by infrared (IR) and Raman spectroscopy, X-ray powder diffraction, scanning electron microscopy (SEM), high resolution transmission electron microscopy (TEM), thermogravimetric analysis (TGA) with the gas phase composition analysis, Brunauer–Emmett–Teller (BET) ...
Added: November 29, 2020
Yurova P., Стенина И. А., Yaroslavtsev A. B., Russian Journal of Electrochemistry 2020 Vol. 56 P. 528–532
Composite materials based on heterogeneous membranes MK-40 modified by a thin layer of homogeneous cation-exchange perfluorinated sulfo membrane MF-4SK doped with 2 and 5% ceria are prepared. The transport characteristics of these membranes in different ionic forms are studied. It is shown that the conductivity of ionic forms of membranes increases in the sequence Li+ ...
Added: November 29, 2020
Yurova P., Karavanova Y., Stenina I. et al., Nanotechnologies in Russia 2016 Vol. 11 No. 11-12 P. 761–765
A number of MK-40 cation-exchange membrane samples modified with ceria have been obtained. The membranes have been studied using a set physicochemical methods, including impedance spectroscopy, scanning electron microscopy, microanalysis, transmission electron microscopy, and XRD phase analysis. Ithas been shown that the embedding of cerium oxide reduces the humidity content and ionic conduction of membranes. ...
Added: November 13, 2019