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Synergistic Multimetal Effects in a High-Entropy Perovskite Oxide Anchored on Reduced Graphene Oxide for Accelerated Water Oxidation
The Journal of Physical Chemistry Letters. 2026. Vol. 17. No. 13. P. 3978–3985.
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Hossein Vasigh S. A., Bavili H. Y., Shaabani B., Bai X., Qin W., Vagov A., Vasenko A., Bai F., Varfolomeev M.
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 robust La(FeCoCuTiNiMnMgSnZn)O3–rGO nanocomposite. Structural characterization confirms the formation of a single-phase cubic perovskite structure with a uniform cation distribution and a slight lattice expansion compared with LaTiO3. In addition, HEO nanoparticles are homogeneously dispersed on the rGO sheets. High-resolution XPS analysis also reveals a defect-rich surface with mixed metal valence states, which interact with the conductive carbon network. Electrochemical measurements show that the La(FeCoCuTiNiMnMgSnZn)O3–rGO nanocomposite exhibits superior oxygen evolution reaction (OER) activity. It reaches a current density of 30 mA cm–2 at a lower overpotential and shows a Tafel slope of 81.9 mV dec–1. The catalyst also demonstrates good stability during 8 h of continuous operation. The enhanced performance is attributed to the combined effect of multiple metal elements in the high-entropy lattice, improved charge transport through the rGO network, and the presence of many active sites created by surface defects. These results show that combining HEOs with conductive carbon materials is a useful strategy for developing efficient and durable electrocatalysts for the OER.
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
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
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
Li S., Novikova S., Stenina I. et al., Mendeleev Communications 2025 Vol. 35 No. 5 P. 560–562
A sulfur–reduced graphene oxide (rGO) composite was investigated as a cathode material for lithium–sulfur batteries. The cathode material containing both monoclinic (g-S) and orthorhombic (a-S) sulfur and rGO exhibits excellent electrochemical performance. The discharge capacity of (a+g)S@rGO in Li–S battery at C/8 is 950 and 620 mAh g−1 for cycles 1 and 20, respectively. © 2025 ...
Added: February 17, 2026
Anandkumar M., Kesavan K. P., Sudarsan S. et al., Gels 2025 Vol. 11 No. 2 Article 117
Tailoring the bandgap of a material is necessary for improving its optical properties. Here, the optical bandgap of high-entropy oxide Ce0.2Gd0.2Sm0.2Y0.2Zr0.2O2-δ (HEO) nanoparticles was modified using Pr3+. Various concentrations of Pr3+ (x = 0, 0.01, 0.02, 0.05, 0.075, 0.1, 0.15) were incorporated into the host high-entropy oxide using a gel combustion synthesis. After the gel ...
Added: February 18, 2025
Ostovari Moghaddam A., Shaburova N., Pashkeev K. et al., Transactions of the Indian Institute of Metals 2025 Vol. 78 Article 61
In this study, BaFe12O19 and three corresponding BaFe6(AlCrTiGaCo)6O19, BaFe2(AlCrTiGaCo)10O19 and BaFe6(AlCrSnGaCo)6O19 high-entropy oxides (HEOs) particles were utilized as reinforcement particles to fabricate Al-matrix composites coatings using cold gas dynamic spraying technique. First, BaFe12O19 and HEOs reinforcement particles with a single BaFe12O19-type structure were fabricated by solid-phase sintering and ball milling. Then, Al-matrix composites with a ...
Added: February 8, 2025
Seyedsaeed M., Ahmad Ostovari Moghaddam, Hadavimoghaddam F. et al., ACS Applied Nano Materials 2024 Vol. 7 No. 5 P. 5513–5524
The development of noble metal-free heterogeneous catalysts holds promise for the solvent-free and selective aerobic oxidation of organic compounds. However, the moderate activity of these catalysts under atmospheric conditions limits their industrial use. In this work, the synthesis of noble metal-free (CoFeMnCuNiCr)3O4 high-entropy oxide (HEO) nanoparticles and their grafting on reduced graphene oxide (rGO) to produce ...
Added: January 12, 2025
Trofimov E., Ahmad Ostovari Moghaddam, Litvinyuk K. et al., Materials Letters 2025 Vol. 379 Article 137668
The possibility of fabricating novel high-entropy oxides (HEOs) with one ultrahigh-entropy sublattice consisting of 13 cations in RE2A2O7 (RE = [La, Sm, Nd, Gd, Dy, Yb, Y, Er, Eu, Tb, Ho, Lu, Tm], A = Zr, Hf, Ti, Sn, Ce or Pr) is demonstrated. All the samples exhibited a pure pyrochlore-type or defective fluorite crystalline structure with various ...
Added: January 7, 2025
Ahmad Ostovari Moghaddam, Mehrabi-Kalajahi S., Qi X. et al., The Journal of Physical Chemistry Letters 2024 Vol. 15 No. 30 P. 7577–7583
In this work, a solid-state method for the synthesis of perovskite La-(FeCuMnMgTi)O3 high-entropy oxide (HEO) nanoparticles is detailed. Additionally, the high performance of these nanoparticles as catalysts in the aerobic and solvent-free oxidation of benzyl alcohol is demonstrated. The structural features of HEO nanoparticles are studied by Xray diffraction and high-resolution transmission electron microscopy. The ...
Added: August 6, 2024
Zhao R., Xu S., Liu D. et al., Applied Catalysis B: Environmental 2023 Vol. 338 Article 123027
NiFe layered double hydroxide (LDH) is a non-noble benchmark catalyst for oxygen evolution reaction (OER). However, the mechanism of enhancing catalytic activities via incorporating foreign elements is still not resolved. Herein, we modulate the electronic structure of NiFe LDH by introducing high-valence Zr4+ to synergistically improve catalytic activity. NiFeZr LDH requires overpotential of only 182 mV at ...
Added: November 20, 2023