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A 3d-4d-5d High Entropy Alloy as a Bifunctional Oxygen Catalyst for Robust Aqueous Zinc–Air Batteries
Advanced Materials. 2023. Vol. 35. No. 46. Article 2303719.
High entropy alloys (HEAs) are highly suitable candidate catalysts for oxygen evolution and reduction reactions (OER/ORR) as they offer numerous parameters for optimizing the electronic structure and catalytic sites. Herein, FeCoNiMoW HEA nanoparticles are synthesized using a solution-based low-temperature approach. Such FeCoNiMoW nanoparticles show high entropy properties, subtle lattice distortions, and modulated electronic structure, leading to superior OER performance with an overpotential of 233 mV at 10 mA cm−2 and 276 mV at 100 mA cm−2. Density functional theory calculations reveal the electronic structures of the FeCoNiMoW active sites with an optimized d-band center position that enables suitable adsorption of OOH* intermediates and reduces the Gibbs free energy barrier in the OER process. Aqueous zinc–air batteries (ZABs) based on this HEA demonstrate a high open circuit potential of 1.59 V, a peak power density of 116.9 mW cm−2, a specific capacity of 857 mAh gZn−1, and excellent stability for over 660 h of continuous charge–discharge cycles. Flexible and solid ZABs are also assembled and tested, displaying excellent charge–discharge performance at different bending angles. This work shows the significance of 4d/5d metal-modulated electronic structure and optimized adsorption ability to improve the performance of OER/ORR, ZABs, and beyond.
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Shi R., Yu Y., Chibisov A., International Journal of Hydrogen Energy 2025 Vol. 107 P. 52–62
Cyanide containing wastewater can cause livestock death and reduce agricultural production and electrochemical reduction of cyanide (CNRR) is a promising way to eliminate its harm and turn waste into valuable products. However, the reaction mechanism and function of electrocatalysts for CNRR have not been fully understood yet. Herein we identify a two-dimensional (2D) conductive copper-organic ...
Added: October 11, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Dmitrieva V. A., Fedorov F. S., Chetyrkina M. R. et al., Journal of Analysis and Testing 2025 Vol. 9 P. 399–404
Carbon nanotube fibers (CNTFs) fabricated using a novel “wet-pulling” technique were evaluated for electrochemical detection of dopamine (DA). To enhance the sensitivity, we employed an electrochemical oxidation pretreatment and twisting of CNTFs and investigated the performance by cyclic voltammetry (CV) and chronoamperometry (CA). The synergetic effect of twisting and pre-oxidation boosted the sensitivity of modified ...
Added: February 10, 2026
He R., Lee S., Ding Y. et al., Advanced Functional Materials 2026 Vol. 36 No. 5 Article e13859
High-entropy alloys (HEAs) show great potential for catalyzing complex multi-step reactions, but optimizing their parameters, i.e., composition, but also their crystallinity and morphology, remains a significant challenge. In this study, FeCoNiMoW HEAs are synthesized into either amorphous nanosheets (HEANS) or crystalline nanoparticles (HEANP), which are then used to catalyze the lithium–sulfur (Li–S) reaction of Li–S ...
Added: August 29, 2025
Mehrabi-Kalajahi S., Ostovari Moghaddam A., Akbarpour S. et al., ACS Applied Energy Materials 2025 Vol. 8 No. 12 P. 8524–8531
High-entropy materials provide an interesting route for developing highly active electrocatalysts owing to their tunability and numerous active sites; however, their performance can be further improved with interfacial engineering in nanocomposite catalysts. In this study, (CoFeMnCuNiCr)3O4 high-entropy oxide (HEO) nanoparticles were synthesized and grafted onto graphene (HEO–G), graphene oxide (HEO–GO), and reduced graphene oxide (HEO–rGO) supports. ...
Added: June 16, 2025
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Moaddeli M. et al., The Journal of Physical Chemistry Letters 2025 Vol. 16 No. 17 P. 4196–4204
Electrocatalytic CO2 reduction reaction (CO2RR) to valuable multicarbon (C2+) fuels and chemicals presents a promising strategy to mitigate atmospheric CO2 accumulation and promote the closure of the carbon cycle. However, significant challenges persist in achieving both high product selectivity and sustained stability in the CO2RR. In this study, the catalytic performance of (Fe,Co,Ni,Cu)3O4 medium entropy oxide (MEO) nanoparticles ...
Added: May 8, 2025
He R., Yang L., Zhang Y. et al., Energy Storage Materials 2023 Vol. 58 P. 287–298
The development of cost-effective, high-activity and stable bifunctional catalysts for the oxygen reduction and evolution reactions (ORR/OER) is essential for zinc–air batteries (ZABs) to reach the market. Such catalysts must contain multiple adsorption/reaction sites to cope with the high demands of reversible oxygen electrodes. Herein, we propose a high entropy alloy (HEA) based on relatively ...
Added: February 18, 2025
Batraev I., Dudina D., Rybin D. et al., International Journal of Advanced Manufacturing Technology 2023 Vol. 129 P. 2647–2659
In this work, feasibility tests of new two-stage approach of deposition of thick high-entropy alloy coatings were performed. At the first stage of this approach, metal composite coating is formed by detonation spraying of low-entropy metal powder blends. At the second stage, the composite precursor coating is heat treated in order to promote the synthesis ...
Added: February 18, 2025
Naseri M., Ahmad Ostovari Moghaddam, Lezhnev S. et al., Journal of Chemical Technology and Metallurgy 2024 Vol. 59 No. 3 P. 653–660
This study describes the strengthening mechanisms of an ultrafine-grained (UFG) Fe35Mn27Ni28Co5Cr5 high-entropy alloy (HEA) processed by severe cold rolling (SCR) process at room temperature. Microstructural evaluations were performed by field emission scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The findings demonstrated that the development of deformation microstructures consisted of a single face-centered cubic (FCC) ...
Added: January 23, 2025
Samoilova O., Suleymanova I., Shaburova N. et al., HIGH TEMPERATURE CORROSION OF MATERIALS 2024 Vol. 101 P. 811–825
The quest for high-entropy alloys (HEAs) with superior resistance against oxidation at elevated temperatures is one of the urgent problems in materials society, since HEAs are candidates for coating machinery parts operating in aggressive conditions (such as turbine blades, turbojet and jet engines, etc.). In this study, the effect of minor platinum alloying on the ...
Added: January 23, 2025
Yang L., He R., Chai J. et al., Advanced Materials 2025 Vol. 37 No. 1 Article 2412337
Nanoparticles (NPs) of high entropy materials (HEMs) have attracted significant attention due to their versatility and wide range of applications. HEM NPs can be synthesized by fragmenting bulk HEMs or disintegrating and recrystallizing them. Alternatively, directly producing HEMs in NP form from atomic/ionic/molecular precursors presents a significant challenge. A widely adopted strategy involves thermodynamically driving ...
Added: January 12, 2025
Wang Z., Zhou Y., Liu D. et al., Angewandte Chemie - International Edition 2022 Vol. 61 No. 21 Article 202200552
Developing robust electrocatalysts and advanced devices is important for electrochemical carbon dioxide (CO2) reduction toward the generation of valuable chemicals. We present herein a carbon-confined indium oxide electrocatalyst for stable and efficient CO2 reduction. The reductive corrosion of oxidative indium to the metallic state during electrolysis could be prevented by carbon protection, and the applied carbon ...
Added: March 20, 2022
Vasilyev D., Shyshkanov S., Shirzadi E. et al., undefined 2020 Vol. 3 No. 5 P. 4690–4698
Electrochemical reduction of carbon dioxide (CO2RR) is promoted by ionic liquid (IL) co-catalysts, and several mechanisms have been proposed to explain their role. Due to the complexity of the CO2RR and the limited number of active IL co-catalysts, a consensus on the precise role of ILs has not been reached, and it is not possible ...
Added: October 29, 2020
Vasilyev D., Rudnev A., Broekmann P. et al., ChemSusChem 2019 Vol. 12 No. 8 P. 1635–1639
Deep eutectic solvents (DESs) were applied to the electrochemical CO2 reduction reaction (CO2RR). Choline‐based DESs represent a non‐toxic and inexpensive alternative to room‐temperature ionic liquids (RTILs) as additives to the system or as electrolyte. Following the study on choline‐based DESs this approach was generalized and simple and organic‐soluble systems were devised based on the combination of ...
Added: October 29, 2020
Vasilyev D., Shirzadi E., Rudnev A. et al., undefined 2018 Vol. 1 No. 10 P. 5124–5128
Pyrazolium ionic liquids (Pz ILs) were employed as co-catalysts for electrochemical conversion of CO2 to CO on a silver disk electrode, leading to a significant decrease in the onset potential for the reduction (ca. 500 mV). The electrochemical conversion of CO2 to CO proceeds in acetonitrile-based electrolytes containing Pz IL co-catalysts with Faradaic efficiencies (FEs) of nearly ...
Added: October 29, 2020
Bonnefont A., Ryabova A., Schott T. et al., Current opinion in Electrochemistry (United States) 2019 Vol. 14 P. 23–31
Transition metal oxides are attractive noble metal-free catalysts of the oxygen reduction for application at the cathode of alkaline membrane fuel cells or metal-air batteries. However, despite of a rapidly increasing number of publications devoted to the oxygen electrocatalysis on transition metal oxides, a clear picture regarding the relations between their structure and composition on the one hand and electrocatalytic activity on the other hand is lacking. ...
Added: June 2, 2019
Filimonenkov I. S., Istomin S., Antipov E. V. et al., Electrochimica Acta 2018 Vol. 286 P. 304–312
In this work we analyze the applicability limits of the rotating ring-disk electrode (RRDE) technique for
quantifying the amount of oxygen produced during the oxygen evolution reaction (OER). We utilize a
state-of-the art IrO2 oxide as a carbon-free OER catalyst and La1xSrxMn0.5Co0.5O3d, x . 0.25 and 0.5
perovskites, which are studied in the presence of carbon. RRDE experiments ...
Added: May 29, 2019