Water Hydrogen Research Articles

Exploring the electrocatalytic performance of silicene and single atom doped silicene for HER, OER and ORR activity using density functional theory

The transition towards hydrogen energy is paramount due to its potential to mitigate environmental pollution caused by fossil fuels. The greener and cleaner way of producing and utilizing hydrogen is through water electrolysis and hydrogen fuel cell where the sluggish reaction kinetics bottlenecks the widescale implementation. Hence, in this study, density functional theory (DFT) is utilized to study the HER, OER and ORR performance of pristine and doped silicene sheets where the dopants (B, C, N, Al and P) are introduced as single atom. The thermodynamical stability for pristine and doped sheets are confirmed with ADMP study and the cohesive energy for all the sheets are found to be around -4.2 eV per atom which validates their stability. The hydrogen evolution reaction (HER) performance of all the sheets is studied and the N doped silicene exhibits better catalytic property with a lowest overpotential of 70 mV and the C doped silicene shown good HER performance with an overpotential of 180 mV. In case of oxygen evolution reaction (OER) and oxygen reduction reaction (ORR), the pristine silicene is found to behave better in the ORR performance while the C doped silicene has the lowest overpotential compared with the other sheets. The variation in the catalytic performance is studied with the reactivity parameters which implies that the nucleophilic nature of the material enhances the HER performance. Furthermore, the results suggest that C doped silicene can be utilized as a bifunctional catalyst for the HER and OER performance. This study suggests that the silicene in the pure form as well as with dopant can be a good electrocatalyst for the water splitting and fuel cell application.

Chemical analysis of Moringa oleifera (Moringaceae) seed oil and potentiation of antibiotic activity against standard and multidrug-resistant bacterial strains

Moringa oleifera (“moringa”) seeds are sources of fixed oil with a composition of fatty acids important for their biological properties. This work aimed to verify the fixed oil of seed, regarding chemical composition, antibacterial activity alone and in association with antibiotics against standard and multidrug resistant bacterial strains. In the chemical composition of the fixed oil, the unsaturated fatty acids (78.26 %) predominated in relation to saturated fatty acids (17.34 %). The palmitic acid (5.88 %), behenic acid (4.27 %), stearic acid (4.17 %) and oleic acid (74.15 %) were the main constituents. Physicalchemical analyzes for moisture, acidity, pH, relative density, peroxide index and refractive index indicated chemical quality of the oil. We performed docking calculation to prioritize low affinity major molecules present in the chemical composition. The docking result of the all compounds showed that highest binding energy type Hydrogen bond, water hydrogen bond and hydrophobic interaction. The fixed oil did not show antibacterial activity alone with a minimum inhibitory concentration (MIC ≥ 1024 μg/mL) for the analyzed bacterial strains. Synergistic effects were verified in the association of the fixed oil with gentamicin, ofloxacin and penicillin against multiresistant strains, with reductions in MICs.

Quantum motion of oxygen and hydrogen in water: Atomic and total kinetic energy across melting from neutron scattering measurements.

We provide a concurrent measurement of the hydrogen and oxygen nuclear kinetic energies in the water molecule across melting at 270K in the solid phase and 276K in the liquid phase. Experimental values are obtained by analyzing the neutron Compton profiles of each atomic species in a deep inelastic neutron scattering experiment. The concurrent measurement of the atom kinetic energy of both hydrogen and oxygen allows the estimate of the total kinetic energy per molecule due to the motion of nuclei, specifically 35.3 ± 0.8 and 34.8 ± 0.8kJ/mol for the solid and liquid phases, respectively. Such a small difference supports results from abinitio simulations and phenomenological models from the literature on the mechanism of competing quantum effects across the phase change. Despite the experimental uncertainties, the results are consistent with the trend from state-of-the-art computer simulations, whereby the atom and molecule kinetic energies in the liquid phase would be slightly lower than in the solid phase. Moreover, the small change of nuclear kinetic energy across melting can be used to simplify the calculation of neutron-related environmental dose in complex locations, such as high altitude or polar neutron radiation research stations where liquid water and ice are both present: for neutron energies between hundreds of meV and tens of keV, the total scattering cross section per molecule in the two phases can be considered the same, with the macroscopic cross section only depending upon the density changes of water near the melting point.

Enhancing production of hydrogen and simultaneous degradation of ciprofloxacin over Sn doped SrTiO3 piezocatalyst

The combination of hydrogen production from water and degradation of organic pollutants into a single reaction system is an attractive and promising solution for renewable energy generation and wastewater treatment. Herein, the piezocatalytic production of hydrogen coupled with simultaneous piezocatalytic degradation of organic antibiotic (ciprofloxacin) was successfully achieved using Sn doped SrTiO3 as the highly efficient and robust piezocatalyst through harvesting vibration energy. Results showed that 5 mol% Sn doped SrTiO3 (SrSn0.05Ti0.95O3) showed the highest piezocatalytic production rate of hydrogen (101.46 μmol g−1h−1) in water. And SrSn0.05Ti0.95O3 also exhibited remarkable piezocatalytic activity in solution containing ciprofloxacin with 151.03 μmol g−1h−1 of H2 evolution rate and 77.5 % of ciprofloxacin degradation efficiency within 60 min. In this process, the doping of Sn largely enlarged the distorted structure and conductivity of SrTiO3 to improve the piezocatalytic activity, and the organic ciprofloxacin mainly acted as the electron donors to synergistically improve the reduction process for H2 evolution. This work establishes the relationships between the piezoelectric property and the piezocatalyst structure, and provides an approach of advanced piezocatalytic technology for wastewater treatment and renewable energy generation.

A mechanistic insight into the structure, conformational dynamics, affinity profile and energetics of Metanil yellow- serum protein complex

Metanil yellow (MYL) is a toxic azo dye extensively used in food preparations and in textile industry as major colorant. It affects important biological processes leading to development of toxicity in different organ systems. Toxicological profile assessment has also revealed its potential for multi-organ toxicity. This work investigates the affinity, energetics, and structural dynamics of MYL binding with Human serum albumin (HSA) in Thyroxine binding site using multi-spectroscopic techniques and molecular simulations. Fluorescence spectroscopic studies of MYL-HSA complex at different temperatures revealed that MYL binds with HSA with stronger affinity (∼27 kJ/mole). The overall binding showed significant static quenching and was entropy driven. Circular dichroism studies showed that the secondary structure of HSA remained predominantly alpha helix. To accommodate within the Tr5 region of HSA, MYL underwent minor alterations in its conformation and position facilitated by the subtle expansion of the binding site (∼2 Å). The role of water in providing stability to the complex via water bridges and hydrogen bonds has also been investigated. Quantum Mechanics studies further revealed that the minor strain observed in the pyramidalamino nitrogen assisted MYL in the complexation.

Understanding the effect of cathodic reaction on corrosion-enhanced erosion in sand-entraining electrolyte

In this study, the pure erosion behaviour of pure iron and its erosion-corrosion behaviour under different anodic polarization currents were investigated in various cathodic reactions (oxygen reduction, hydrogen ion reduction, and water reduction) using a cylindrical stirring system. The corrosion-enhanced erosion (C-E) rates were determined for each condition. The results revealed that pure iron displayed similar pure erosion behaviour across all three cathodic reactions. When the cathodic reactions involve hydrogen ion reduction or water reduction, the erosion-corrosion of pure iron manifested as uniform damage, with the reduction in hardness being the main cause of the C-E in this case. Conversely, in the case of oxygen reduction reaction as the cathodic reaction, the erosion-corrosion presented as pitting damage, with the reduction in hardness resulting from localized concentration of anodic current and the formation of easily worn protruding flaky iron structures at the edges of the pits as the main mechanism of the C-E. Moreover, linear and exponential relationships were found between the C-E rate and the anodic current density for uniform damage and pitting damage, respectively. Finally, the concept of surface equivalent hardness was proposed, along with the establishment of a mathematical model for surface equivalent hardness based on the relationships between the C-E rate and the anodic current density. Utilizing the surface equivalent hardness enables the evaluation of the erosion rate on material surfaces considering the coupled effect.

Binding energies and hydrogen bonds effects on DNA-cisplatin interactions: a DFT-xTB study.

A systematic study of hydrogen bonds in base pairs and the interaction of cisplatin with DNA fragments was carried out. Structure, binding energies, and electron density were analyzed. xTB has proven to be an accurate method for obtaining structures and binding energies in DNA structures. Our xTB values for DNA base binding energy were in the same order and in some cases better than CAM-B3LYP values compared to experimental values. Double-stranded DNA-cisplatin structures have been calculated and the hydrogen bonds of water molecules are a decisive factor contributing to the preference for the cisplatin-Guanine interaction. Higher values of the water hydrogen bonding energies were obtained in cisplatin-Guanine structures. Furthermore, the electrostatic potential was used to investigate and improve the analysis of DNA-cisplatin structures. We applied the xTB method and the CAM-B3LYP functional combined with def2-SVP basis set to perform and analyze of the bonding energies of the cisplatin interaction and the effects of the hydrogen bonds. Results were calculated employing the xTB and the ORCA software.

3D macroporous MXene/sodium alginate aerogels with “brick-concrete” structures for highly efficient solar-driven water purification

Interfacial water evaporation, powered by solar energy, holds great promise to extract freshwater from seawater on a global scale. It has the potential to address the world's water scarcity challenges using renewable energy. While the ideal design of evaporator materials is critical to the interfacial vaporization desalination, tailoring the structures and compositions of solar evaporators and figuring out the structure/composition-performance relationship of evaporators remains unexplored. Herein, 3D macroporous “brick-concrete” MXene/sodium alginate aerogel (MSA) evaporators were designed and fabricated with constant MXene content and varying polymer loading. The as-made MSAs show sodium alginate-dependent evaporating performance with an optimum evaporation rate of 3.28 kg m−2 h−1 (1 sun). This exceptional rate is attributed to several factors, including enhanced light absorption, optimized pore sizes, reduced enthalpy of evaporation and improved water transport. The water molecule states and hydrogen bonding network in the aerogels can be tuned by their compositions, resulting in the reduced evaporation enthalpy, the monolithic structures with controlled thermal conductivity facilitate the exploitation of environmental energy, leading to the high evaporation rate. Our study not only establishes design principles for achieving superior evaporation performance, but also sheds light on the relationship between structures, compositions, and performance of solar evaporators.

Ru2P/Ir2P Heterostructure Promotes Hydrogen Spillover for Efficient Alkaline Hydrogen Evolution Reaction

AbstractEfficient and durable electrocatalysts toward alkaline hydrogen evolution reaction (HER) are of great significance for the widespread application of anion‐exchange membrane water electrolyzer (AEMWE). Numerous single‐phase catalysts, such as Ru2P, have been explored as efficient HER catalysts; however, many have failed to overcome the inherent sluggish kinetics of the two separate steps involved in the alkaline HER: water dissociation and hydrogen production. In this study, density functional theory calculations are conducted to identify promising combinations of Ir2P and Ru2P materials that promote fast cascade water dissociation and H2 production via kinetically favorable hydrogen spillover from the Ru2P surface to the adjacent Ir2P. An unprecedented construction of Ir2P cluster‐decorated Ru2P hollow nanotubes (c‐RP/IP HNTs), which feature a cooperative heterostructural synergy are developed. This configuration shows greater performance than commercial Pt/C, achieving an overpotential of 23.2 mV at 10 mA cm−2 and maintaining long‐term stability for 55 h in half‐cell tests. Furthermore, the practical AEMWE test, incorporating c‐RP/IP HNTs, demonstrated a remarkable single‐cell performance of 12.23 A cm−2 at 2.0 V and operated stably under 1.0 A cm−2 for over 250 h. This surpasses that of the state‐of‐the‐art proton‐exchange membrane WE.

Lower crustal control in the iron isotope systematics of plutonic xenoliths from Adak Island, Central Aleutians, with implications for arc magma geochemistry

We present bulk-rock and mineral Fe isotope data of ultramafic to mafic xenoliths and basaltic to andesitic lavas from Adagdak Volcano (Adak Island, Central Aleutians) to study the effects of early differentiation on the Fe isotopic evolution of island arc basalts and their crystallization products. The Fe isotope composition of ultramafic cumulate xenoliths increases from dunite (δ56Fe = –0.09 to –0.02 ‰) to clinopyroxenite (δ56Fe = +0.06 to +0.09 ‰), consistent with higher modal proportions of clinopyroxene (δ56Fe = –0.05 to +0.11 ‰) relative to olivine (δ56Fe = –0.10 to +0.06 ‰) in the latter. Mid-crustal cumulate amphibole gabbro and hornblendite cumulates also record heavier Fe isotope compositions (δ56Fe = +0.04 to +0.08 ‰) due to the abundance of isotopically heavy amphibole (δ56Fe = +0.07 to +0.09 ‰) and magnetite (δ56Fe = +0.11 to +0.13 ‰) in these rocks. High inter-mineral fractionations observed in spinel-olivine and spinel-clinopyroxene pairs (Δ56Fespl-ol = +0.12 to +0.28 and Δ56Fespl-cpx = +0.06 to +0.19) suggest that spinel is not recording equilibrium crystallization conditions for the ultramafic assemblages, likely due to subsolidus Fe-Mg exchange. Our data also include Fe isotope measurements of one mantle dunite (δ56Fe = +0.03 ± 0.05 ‰). Five Adagdak lavas, spanning from basalts to andesites, yield a narrow range of δ56Fe between +0.03 and +0.06 ‰. Our results highlight the potential of amphibole in driving the Fe isotope depletion trends observed in many erupted arc lavas, as amphibole hosts 28–99 % of the FeOT budget in the amphibole gabbro and hornblendite cumulates. This is also supported by single-crystal synchrotron Mössbauer spectroscopy of two amphibole grains, the first from an amphibole gabbro and the second from a hornblendite, which yield Fe3+/ΣFe ratios of 0.55 ± 0.06 and 0.58 ± 0.02, respectively. Water content and hydrogen isotope compositions determined by secondary-ion mass spectrometry from the same amphibole grains indicate partial dehydrogenation. Using Rayleigh fractionation modeling to account for oxidation during post-crystallization dehydrogenation, we calculate magmatic Fe3+/ΣFe ratios of 0.41 ± 0.04 for the amphibole gabbro and 0.30 ± 0.05 for the hornblendite. These data are then used to estimate an appropriate Fe force constant for Adagdak amphibole and quantitatively evaluate the effects of amphibole fractionation. Through a fractional crystallization model, we show how arc melts may experience periods of increasing δ56Fe during olivine-dominated fractionation, followed by decreasing δ56Fe once magnetite and amphibole saturate as cumulate phases. Notably, this dichotomy between fractionation of isotopically light versus heavy cumulate assemblages and its effects on the Fe isotope evolution of arc magmas is not captured by the Adagdak lava record, highlighting the utility of cumulates in chronicling the early isotopic evolution of magmatic systems.

Correction of metabolic and structural disorders in bull spermatozoids during cryopreservation using molecular hydrogen

The influence of molecular hydrogen on the fertility parameters and energy metabolism of spermatozoids of black-and-white Holstein bulls was studied. Sperm was diluted with sterile BioXcell medium (France), diluted in hydrogen water. We studied native sperm diluted with BioXcell and BioXcell with molecular hydrogen, as well as after deep freezing with and without pre-treatment with molecular hydrogen. The addition of molecular hydrogen to the medium for diluting sperm and subsequent freezing changed the functional status of cells after thawing, leading to an increase in their motility, an increase in the number of motile and fast sperm, and a decrease in the number of slow cells relative to the analyzed indicators of regenerative cells after cryopreservation that were not exposed to molecular hydrogen. Sperm motility after thawing was 12% higher (p ≤ 0.05), the average movement speed was 9% (p≤0.05), and the ATP content was two times higher than in sperm samples not treated with molecular hydrogen. The results of the experiment showed that the addition of molecular hydrogen to the semen extender improves the biological indicators of the quality of bull sperm, its fertility, and increases the energy metabolism of spermatozoids.

Modulating water hydrogen bonding within a non-aqueous environment controls its reactivity in electrochemical transformations

Modulating water hydrogen bonding within a non-aqueous environment controls its reactivity in electrochemical transformations

Long-term stability and the physical and chemical factors predictive for antimicrobial activity in Australian honey.

The growing burden of expired medicines contributes to environmental contamination and landfill waste accumulation. Medicinal honey, with its non-toxic nature and potentially long shelf-life, represents a promising and underutilised therapeutic that avoids some of these issues. However, limited knowledge on how its antimicrobial properties change over time combined with a lack of reliable processes in the honey industry for measuring antimicrobial potential, hinder its clinical adoption. Using a diverse selection of 30 Australian honey samples collected between 2005 and 2007, we comprehensively evaluated their antibacterial and antifungal activity and pertinent physical and chemical properties with the aims of assessing the effect of long-term storage on activity, pinpointing factors associated with antimicrobial efficacy, and establishing robust assessment methods. Minimum inhibitory concentration (MIC) assays proved superior to the standard phenol equivalence assay in capturing the full range of antimicrobial activity present in honey. Correlations between activity and a range of physical and chemical properties uncovered significant associations, with hydrogen peroxide, antioxidant content, and water activity emerging as key indicators in non-Leptospermum honey. However, the complex nature and the diverse composition of honey samples precludes the use of high-throughput chemical tests for accurately assessing this activity, and direct assessment using live microorganisms remains the most economical and reliable method. We provide recommendations for different methods of assaying various honey properties, taking into account their accuracy along with technical difficulty and safety considerations. All Leptospermum and fourteen of seventeen non-Leptospermum honey samples retained at least some antimicrobial properties after 15-17 years of storage, suggesting that honey can remain active for extended periods. Overall, the results of this study will help industry meet the growing demand for high-quality, medicinally active honey while ensuring accurate assessment of its antimicrobial potential.

Limestone water mixing process and hydrogen and oxygen stable isotope fractionation response under mining action

North China type coalfield are gradually mining deep, and the mixing of groundwater is intensified. Hydrogen and oxygen isotopes are important elements for tracing groundwater movement. The fractionation response mechanism under mining conditions is not clear. In this paper, combined with numerical simulation, MixSIAR isotope mixing model and other methods, according to the δD, δ18O and hydrochemical information of various water bodies, the impact of coal mining on hydrogen and oxygen isotope fractionation is analyzed from multiple perspectives. The results show that summer soil water is the main source of recharge for limestone water, accounting for 30.7%–41.5%, and the Zhan River is the main source of recharge for limestone water. Before groundwater recharge, evaporation leads to the increase of δ18O in surface water by 0.31‰–5.58‰, water loss by 1.81%–28.00%, the increase of δ18O in soil water by 0.47‰–6.33‰, and water loss by 2.74%–35.80%. Compared with the coal mining layer, the degree of hydrogen and oxygen isotope drift and water-rock interaction in the coal mine stopping layer are significantly improved. The results of numerical simulation show that the pumping activity reduces the 18O concentration in the mining layer. The ion ratio is used as a new variable to eliminate the influence of water-rock interaction when calculating the mixing ratio. The results show that the limestone water is in a state of receiving external recharge, and mixing effect increases the δ18O in limestone water by 0.86‰ on average, and the δD increases by 0.72‰ on average. The research results explain the controlled process of hydrogen and oxygen isotope fractionation under mining conditions, which is of great significance to coal mine safety production.

Functional Characteristics of Antioxidant Long-Life Ultra-Fine Bubble Hydrogen Water

Free radicals, including reactive oxygen species resulting from oxidative stress, are one of the major causes of biological disorders and are known to be closely related to the onset of lifestyle-related diseases such as aging, atherosclerosis, and diabetes, and their complications. Hydroxyl radicals, the most reactive and cytotoxic of reactive oxygen species, are selectively reduced by hydrogen. We have developed a method to produce more stable hydrogen water by dispersing hydrogen in water using ultra-fine bubbles (UFBs) with a bubble diameter of less than 1 μm. The present study reported on the functional characteristics of antioxidant long-life UFB hydrogen water. UFB hydrogen water with excellent storage stability is expected to have a variety of potential medical applications, including radiation damage reduction.

Steric interaction of iridium sites towards efficient oxygen and hydrogen evolution

Transition metal materials that loaded with trace of Iridium (Ir) are widely accepted as effective catalysts for oxygen evolution (OER) and hydrogen evolution reaction (HER), in which the Ir atoms exposed on the surface can directly affect the electrocatalytic reaction. However, this neglects the Ir – Ir interaction of distinct locations, which may be benefit for the fine-tuning of electronic structure. Herein, we changed the locations (surface and inside) of Ir atoms in the cobalt oxide (Co3O4@NC), and investigated their alkaline OER and HER performances. Combined with X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS) and theoretical calculations, we infer that the steric interaction induced by the surface – internal Ir sites can weaken the Ir-O bond and optimize the adsorption of intermediates on catalyst surface with a negative shift of d-band center, enabling the surface-Ir sites with lower energy barrier for water dissociation and hydrogen adsorption for HER. Therefore, the as-prepared Irw-Co3O4@NC with surface − inside Ir distribution significantly improve the HER without degrading OER performance, with low overpotential of −173 / −71 mV for HER at −10 mA/cm2 in 0.1 M KOH / 1.0 M KOH, and 244 / 249 mV at 10 mA/cm2 for OER.

Investigating BiMeVOx compounds as potential photoelectrochemical and electrochemical materials for renewable hydrogen production

In this study, BiMeVOx compounds (where Me: Co, Mo, Ce, Zr) were synthesized and characterized as potential photoelectrochemical materials for solar water splitting, the hydrogen evolution reaction (HER), and oxygen evolution reaction (OER). The analysis confirmed the successful formation of phase BiMeVOx compounds with the desired crystal structure. Among the tested materials, BiCoVOx(800) showed the highest photocurrent density (674 μA cm−2) and HER/OER activity (Tafel slope: HER = 100 mV dec−1 and OER = 75 mV dec−1), followed by BiMoVOx(800), BiCeVOx(800), and BiZrVOx(800). The superior photoelectrochemical performance of BiCoVOx(800) can be attributed to its unique electronic structure and optimized band alignment, which promote efficient charge separation and facilitate the water splitting and hydrogen evolution processes. The findings of this study highlight the promising potential of the synthesized BiMeVOx materials, particularly BiCoVOx, as efficient photoelectrochemical catalysts for water splitting. These results contribute to the advancement of renewable energy technologies and provide valuable insights for the design and development of novel photoactive materials.

Origin and Geochemical Characterization of Groundwater from Coal Seam: A Case Study of Balasu Coalfield, Ordos Basin.

The hydrochemical characteristics of groundwater are of great significance for studying the source, development, and utilization of groundwater. This study investigated the characteristics of anions and cations, total dissolved solids (TDS), hydrochemical types, and hydrogen and oxygen isotopes of surface water and groundwater in the Balasu coalfield. By conducting experiments using inductively coupled plasma emission electron spectrometry, ion chromatography, acid-base titration, and gravimetric analysis, the characteristics of ion concentration and TDS in different aquifers were analyzed to determine the possible source of groundwater in C2 (number 2 coal seam in Yan'an Formation). The Piper trilinear diagram was used to determine the hydrochemical types of aquifers, and the source of groundwater was determined based on the stable isotope characteristics of hydrogen and oxygen. The changes in ion, TDS, hydrogen, and oxygen isotopes of surface water and groundwater were analyzed, and the groundwater differences between the two sets of coal seams were compared. The research results indicate that the groundwater in C2 (number 2 coal seam in Yan'an Formation) is caused by the original sedimentary water and the infiltration of Zhiluo Formation and A1 (strata at the top of the Yan'an Formation to number 2 coal seam). However, C4 (number 3 coal seam in Yan'an Formation) is hindered by the well-developed mudstone in A3 (bottom of number 2 coal seam to the top of number 3 coal seam), which hinders the infiltration of groundwater. The study emphasizes that the overlying strata can have a significant impact on the coal seam when the moisture content is high and there is a lack of overlap, thereby promoting changes in the moisture content of the coal seam. This study provides some insights into the safety of coal mines, especially in mining areas with a high coal seam moisture content.

One-Step Synthesis of High-Efficiency Oxygen Evolution Reaction Catalyst FeSx(Y/MB) with High Temperature Resistance and Strong Alkali

Given the energy crisis and escalating environmental pollution, the imperative for developing clean new energy is evident. Hydrogen has garnered significant attention owing to its clean properties, high energy density, and ease of storage and transportation. This study synthesized four types of catalysts—FeS(DI/MB), FeS(ET/MB), Fe(DI/MB), and Fe(ET/MB)—using two distinct solution systems: DI/MB and ET/MB. The FeS(DI/MB) catalyst, synthesized using the layered solution system (DI/MB), demonstrates a uniformly distributed and dense nanosheet structure, exhibiting excellent resistance to strong bases and superior catalytic properties. The FeS(DI/MB) electrode showed OER overpotentials of 460 mV and 318 mV in 1 M and 6 M, respectively, at current densities of up to 500 mA cm−2. Under industrial electrolysis test conditions, the FeS(DI/MB) electrode required only 262 mV to achieve a current density of 500 mA cm−2, operating in a high-temperature, strong alkaline environment of 6 M at 60 °C. Furthermore, the FeS(DI/MB) electrode exhibited excellent OER catalytic activity and stability, as evidenced by a 60 h stability test These findings provide valuable insights into the preparation of iron nickel sulfide-based catalysts, and further in-depth and comprehensive exploration is anticipated to yield the excellent catalytic performance of these catalysts in the realm of electrolytic water hydrogen production.

Synergistic M‐O Dual‐Atom Pairs Induced Interfacial Water Hydrogen Bonding Network for Boosting MoSe2 Electrocatalytic Performance

AbstractUnderstanding the dynamics changes of the water network at the electrode–solution interface during the hydrogen evolution reaction (HER) process, including how it is doubly regulated by the electrode material and electrolyte pH, and its subsequent effects on the reaction intermediates (H* and OH*), is crucial in electrochemistry. However, relevant studies are limited due to water's its dual role as both a reactant and a solvent. Thus, it is essential to construct an ideal model capable of decoupling the effects of interfacial water action from the surface catalytic HER process. In this study, M‐O atom pairs doped MoSe2 model catalyst is developed to achieve this goal and tailor the water network structure in a double‐layer microenvironment. Combined with molecular dynamics simulations and in situ spectroscopic characterization, correlations between water configuration, the water network, and water dissociation with HER activity are successfully established. This findings reveal that the pH‐dependent hydrogen‐bonding environment, modulated by oxophilic species, exerts a greater influence on acidic HER compared to alkaline media. The optimized Rh,O‐MoSe2‐x catalyst demonstrates exceptional performance in both acid and alkaline electrolytes and shows no activity decay during a PEMWE test at 1.5 A cm−2, making it promising for scalable water electrolyzers.