Electrocatalytic Applications Research Articles

Recent advances of metal suboxide catalysts for carbon‐neutral energy applications

AbstractMetal suboxides have emerged as a class of promising candidates for many electrocatalytic applications owing to their enhanced electrical conductivity and chemical activities. In this review, we have summarized the recent progress of metal suboxides. We have firstly introduced the discovery of metal suboxides, and their categories according to element tables. Then various metal suboxides synthetic methods have been systematically illustrated involving solid‐state synthesis, high‐temperature synthesis, low‐temperature synthesis and plasma‐driven synthetic methods, etc. In addition, their applications have been demonstrated in the field of water, carbon and nitrogen cycle‐based energy catalysis technologies involving electrochemical hydrogen evolution reaction, oxygen evolution reaction, oxygen reduction reaction, carbon dioxide reduction, urea oxidation reaction, methanol oxidation reaction, nitrogen reduction reaction and nitrate reduction reaction, etc. Finally, we make a brief conclusion about the developments of metal suboxides, giving an outlook for future research challenges. These insights are expected to hold promise for developing metal suboxide catalysts toward practical applications.

Recent Advances in Understanding of the Singlet Oxygen in Energy Storage and Conversion.

Singlet oxygen (term symbol 1 Δg , hereafter 1 O2 ), a reactive oxygen species, has recently attracted increasing interest in the field of rechargeable batteries and electrocatalysis and photocatalysis. These sustainable energy conversion and storage technologies are of vital significance to replace fossil fuels and promote carbon neutrality and finally tackle the energy crisis and climate change. Herein, the recent progresses of 1 O2 for energy storage and conversion is summarized, including physical and chemical properties, formation mechanisms, detection technologies, side reactions in rechargeable batteries and corresponding inhibition strategies, and applications in electrocatalysis and photocatalysis. The formation mechanisms and inhibition strategies of 1 O2 in particular aprotic lithium-oxygen (Li-O2 ) batteries are highlighted, and the applications of 1 O2 in photocatalysis and electrocatalysis is also emphasized. Moreover, the confronting challenges and promising directions of 1 O2 in energy conversion and storage systems are discussed.

Atomic-level insights into bioinspired Fe/Ni bimetallic active sites on carbon nitrides for electrocatalytic O2 evolution

Atomically dispersed active speices on nanomaterials have shown greate promise for various catalytic reactions. In this work, bioinspired bimetallic materials (FeNi-CN) are produced through the mixing of melamine with FeCl2·4H2O and NiCl2·6H2O followed by heat treatment. FeNi-CN exhibits exceptional electrocatalytic activity with an overpotential of 250 mV for oxygen evolution reactions (OERs), which surpasses the well-known IrO2. Additionally, it shows excellent cyclic durability up to 10,000th cycle. The various characterizations reveal the atomically dispersed Fe and Ni atoms across C3N4 networks through coordination to N atoms. Comparative experiments with monometallic samples show that bimetallic FeNi-CN outperforms them. Density functional theory calculations support these findings, indicating that Ni has a higher OER activity than Fe, and the combination of bimetallic Ni and Fe and structural corrugation in FeNi-CN enhances catalytic performance. Ex-situ study supports the electrochemical stability. This work suggests the potential of bimetallic catalysts for electrocatalytic application.

Computational investigation of the oxygen reduction reaction on the edges of differently-sized, shaped and terminated graphene nanoclusters

Graphene nanoclusters (GNCs), part of the graphene family of nanomaterials, are attracting interest as promising Pt free catalysts for the Oxygen Reduction Reaction (ORR) at the cathode of the fuel cells. This investigation focuses on the theoretical prediction of their possible edge activity towards ORR determined by their shape, size and termination type. In this framework, using density functional theory (DFT) we examined the zigzag (zz) and armchair terminated (ac) triangular (T), rhombohedral (R) and hexagonal (H) GNCs of various sizes, ranging from C13 to C114. The theoretical onset overpotential (ηth,onset) indicate that several GNC edges could be active for ORR. The model indicates that the zigzag edges of all triangular GNCs (C13–C46) as well as of the largest investigated rhombohedral shapes (C48, C70) are active for ORR. A correlation between the band gaps, spin densities and p-band centers of the edge carbon atoms and the adsorption energies of the ORR intermediate moieties (HOO*/O*/HO*) are discussed and which are directly related to their activity. One trend is related to the decrease of the adsorption energies with the decrease of the band gap and accordingly an increase of their ORR activities. The case studies, show that the explicit water model developed by using machine learning potentials and combined with DFT, stabilizes the ORR intermediates stronger than the implicit one, thus increasing slightly the onset overpotential. Overall, this computational study enhances our fundamental understanding of the edges of GNC for their potential application in electrocatalysis without doping.

Photoelectrode FTO/ Anodized TiO2 Production and Characterization for Methylene Blue Affected Photoelectrochemical Decomposition

Background: The production of thin film TiO2 nanostructured systems for electrocatalytic, photocatalytic, and photoelectrocatalytic applications has been an essential topic in recent years. Due to the light-sensitive effect of TiO2, it can be produced by various methods and used as a photoelectrode to remove dye. Using magnetron sputtering, Ti thin films can be deposited on different substrates and converted into transparent TiO2 structures by electrochemical anodization. Methods: In this study, the thin Ti film was produced using a magnetic spraying technique on the FTO substrate, and then an anodic TiO2 structure was obtained by the anodization technique. TiO2 films produced by the anodizing technique were used as a photoelectrode for the degradation of MB. The reactor contained 400 mL of 20 mg/L MB solution at 20 °C. The produced photoelectrode was characterized by the SEM/EDS, FTIR, XRD, and UV-Vis Spectrophotometer analyses. Results: The EDS analysis confirmed the presence of titanium and oxygen in the FTO/ Anodized TiO2 photoelectrode. The XRD results showed that all the peaks of the produced FTO/ Anodic TiO2 were associated with the anatase phase of TiO2. According to the FTIR spectroscopy, the functional groups of the anodized TiO2 were obtained for the FTO/ Anodized TiO2. The electrocatalytic, photocatalytic, and photoelectrocatalytic degradation experiments were performed with the degradation of the dye solution of MB on the FTO/ Anodic TiO2 photoelectrode, and the rates of dye degradation were determined as 17.12%, 64.67%, and 82.12%, respectively Conclusion: This study showed that the methylene blue dye of FTO/ Anodic TiO2 is a suitable photoelectrode for electrocatalytic, photocatalytic, and photoelectrocatalytic degradation.

Engineering Symmetry-Breaking Centers and d-Orbital Modulation in Triatomic Catalysts for Zinc-Air Batteries.

Unraveling the configuration-activity relationship and synergistic enhancement mechanism (such as real active center, electron spin-state, and d-orbital energy level) for triatomic catalysts, as well as their intrinsically bifunctional oxygen electrocatalysis, is a great challenge. Here we present a triatomic catalyst (TAC) with a trinuclear active structure that displays extraordinary oxygen electrocatalysis for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), greatly outperforming the counterpart of single-atom and diatomic catalysts. The aqueous Zn-air battery (ZAB) equipped with a TAC-based cathode exhibits extraordinary rechargeable stability and ultrarobust cycling performance (1970 h/3940 cycles at 2 mA cm-2, 125 h/250 cycles at 10 mA cm-2 with negligible voltage decay), and the quasi-solid-state ZAB displays outstanding rechargeability and low-temperature adaptability (300 h/1800 cycles at 2 mA cm-2 at -60 °C), outperforming other state-of-the-art ZABs. The experimental and theoretical analyses reveal the symmetry-breaking CoN4 configuration under incorporation of neighboring metal atoms (Fe and Cu), which leads to d-orbital modulation, a low-shift d band center, weakened binding strength to the oxygen intermediates, and decreased energy barrier for bifunctional oxygen electrocatalysis. This rational tricoordination design as well as an in-depth mechanism analysis indicate that hetero-TACs can be promisingly applied in various electrocatalysis applications.

Opposite Electron Transfer Induced High Valence Mo Sites for Boosting the Water Splitting Performance of Ir Atoms.

Developing highly efficient and low-cost bifunctional electrocatalysts for both the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) in water splitting poses significant challenges. In this study, a novel bifunctional electrocatalyst, Irn-CoMoPOx, was achieved via incorporating low-loading Ir single atoms and clusters with the high-valence Mo6+ modified CoPOx nanosheets. The Irn-CoMoPOx catalyst demonstrates remarkable low overpotentials of 222 mV and 36 mV for the OER and HER, respectively, in delivering a current density of 10 mA cm-2. When employed as both the anode and cathode catalyst in overall water splitting, the Irn-CoMoPOx∥Irn-CoMoPOx configuration exhibits a superior cell voltage of 1.53 V, outperforming the benchmark Pt/C∥IrO2 electrolytic cell (1.60 V) for achieving the current density of 10 mA cm-2. Benefiting from the high-valence of Mo species, the metal-support interaction of Irn-CoMoPOx was greatly strengthened, resulting in an order of magnitude increase in the mass activity of Ir for the HER. The high valence of non-noble metals plays a crucial role in tuning the local electronic configurations and optimizing the adsorption energies of the intermediates, which synergistically improves the overall performance of Ir in water splitting. The study provides valuable insights for future research in the utilization of Ir-based bifunctional catalysts for overall water electrocatalysis applications.

N-doped lotus seedpods biocarbon hybridized with NiCo2S4 as counter electrodes for dye sensitized solar cells

A facile and green approach to composites containing nitrogen doped lotus seedpods biocarbon (NALC) and NiCo2S4 (NCS) is reported. The composites present excellent electrocatalytic activity for reduction from I3− to I− due to the synergistic effect between the nanocrystalline NCS and the NALC. Dye-sensitized solar cells (DSSCs) assembled with the as-prepared NALC@NCS counter electrodes (CEs) achieve impressive photovoltaic conversion efficiency (PCE) of 8.58%, which is higher than that by the same structured cell with Pt (7.85%) and NCS (7.53%) CEs. Compared with other NCS based CEs, the NALC@NCS CEs show good durability and stability, suggesting that combining nanocrystalline catalyst with biocarbon is beneficial to stimulate the synergistic effect, and is a feasible strategy to optimal CEs for high performance DSSCs. Low cost NALC@NCS composites developed in this work are environmentally friendly, stable and efficient, which are believed to be good candidates for Pt-free CE materials in DSSCs and electrocatalysis applications.

Redox-active green-electrode: Plant-extract based rutin and caffeic acid functionalized MWCNT for scanning electrochemical microscopy imaging and selective electrocatalytic oxidative sensing of dopamine

A straightforward, environmentally friendly, and rapid in-situ electrochemical functionalization of Rutin (Rut) and Caffeic acid (Caf) on a multiwalled carbon nanotube-modified glassy carbon electrode, denoted as GCE/MWCNT@Herb-Redox (Herb-Redox =redox active species from the plant extract), has been demonstrated. This method utilizes an eco-friendly, plant-based water extract from Indian Borage (Coleus amboinicus), referred to as IBE, as a precursor sample. The as-prepared molecular bio-electrode showed a well-defined and stable surface-confined redox response at standard electrode potentials, Eo’ = 0.160 and 0.200 V vs Ag/AgCl in pH 7 phosphate buffer solution. By performing physicochemical and molecular characterisations using TEM, SEM, UV–Vis, FTIR, high-performance thin-layer chromatographic techniques, it has been confirmed that Rut and Caf from the Herbal-plant were selectively immobilized on the MWCNT-modified electrode. Using scanning electrochemical microscopy (SECM), the electroactive sites of the molecular-electrode were mapped. The electrocatalytic function of the GCE/MWCNT@Herb-Redox was demonstrated by performing a dopamine (DA) oxidation reaction as a model system in pH 7 PBS using CV and amp-it techniques. The results showed 100—10,000 times increase in the DA- oxidation current response over the values quoted with many of the literature reports highlighting the efficient functionality of the new molecular electrocatalytic system. As a proof of concept, batch injection analysis based elegant dopamine sensing using screen-printed electrode/MWCNT@Herb-Redox as an electrochemical detector has been demonstrated and there is no biochemical interference was observed. Since the electrochemical approach follows a green chemistry route for the modification, this bioelectrode showed a new platform for eco-friendly electrocatalytic applications.

Polyoxometalates-derived nanostructures for electrocatalysis application

Polyoxometalates-derived nanostructures for electrocatalysis application

Tuning Morphology and Electronic Structure of Cobalt Metaphosphate Via Vanadium‐Doping for Efficient Water and Urea Splitting

AbstractDesigning efficient multifunctional electrocatalysts for water and urea splitting to produce green hydrogen presents a significant yet worthwhile challenge. Herein, the morphology and electronic structure of cobalt metaphosphate (Co2P4O12) by vanadium (V) doping, resulting in improved electrocatalytic activity and stability for hydrogen evolution reaction (HER), oxygen evolution reaction (OER), and urea oxidation reaction (UOR) are simultaneously regulated. Theory calculations show that V‐doped Co2P4O12 (V‐Co2P4O12) can boost the kinetics of catalytic reactions by optimizing the d‐band center of Co atoms and the binding strength of intermediates, as well as enhancing the density of states. Moreover, the doping of V into Co2P4O12 crystalline structure benefits the formation of a thicker amorphous layer during the catalytic process, which could enhance its alkaline corrosion resistance and stability. Additionally, the multilevel nanostructures of V‐Co2P4O12 provide rich active sites for catalytic reactions. As a result, a two‐electrode electrolyzer assembled by V‐doped Co2P4O12 delivers low voltages for overall water and urea splitting. The superior performance suggests that the proposed V‐doping strategy is a promising way to regulate electrocatalytic activity for catering to green electrocatalytic applications.

Transition metal dichalcogenide quantum dots: Synthesis, properties, and applications for electrochemistry, energy storage, and solar cells

AbstractAtomically thick two‐dimensional transition metal dichalcogenides (TMDs) have been extensively studied as optoelectronic materials because of their distinctive electronic structures and outstanding photonic and catalytic properties. In particular, when the size of TMDs are decreased to the quantum scale, they possess wider bandgaps and higher surface‐to‐volume ratios with more active edge sites per unit mass. Hence, they are promising for use in sensor, battery, and electrocatalytic applications. In this study, we briefly review the various popular synthesis methods of TMD quantum dots (QDs) from top‐down and bottom‐up approaches. Then, we summarize the optical, electronic, and catalytic properties of TMD QDs. Furthermore, recent progress on electrochemistry, energy storage, and solar cell applications of TMD QDs is summarized in detail. Finally, we summarize current research bottlenecks of TMD QDs and discuss potential avenues for future research.

Recent Developments in Copper‐Based Catalysts for Enhanced Electrochemical CO2 Reduction

AbstractThe drastic climate change imposing adverse environmental effects receives serious research attention for finding a suitable solution. The replacement of conventional fossil energy sources with renewable and sustainable energy sources is the potential route; and thus, manifests as a viable solution. Accordingly, the electrocatalytic carbon dioxide (CO2) reduction process coupled with the renewable energy source is an emerging strategy for adopting a sustainable approach. However, the existing challenges in designing suitable catalyst, support material, electrolyte, inadequate selectivity, and intermediate reactions of CO2 reduction demand substantial research advancement. Numerous studies reported for the CO2 reduction process highlight the importance of catalyst design and product selectivity. Importantly, the copper‐based catalysts, capable in the output of multi‐carbon products, are reported as a “star” material. This review; therefore, focuses on catalyst design strategies, unique structural/morphological features, and product selectivity of diverse copper‐based catalysts. The outstanding findings of copper‐based catalysts and the corresponding products are critically discussed with adequate figures of merits. The impact of structural/morphological features on product selectivity is discussed in detail. The future scope and author perspectives on copper‐based catalysts for the feasible electrocatalytic CO2 reduction application are summarized.

Unlocking the benefits of glassy-like carbon synthesis: Direct immobilization of single Ni sites for robust electrochemical CO2 reduction reaction

Stable electrodes are crucial for the practical applications of electrochemical systems. In this study, we report a simple method for synthesizing three-dimensional glassy-like carbon (3D·GC) on an alumina substrate through pyrolysis of benzyl alcohol and applying it to electrocatalytic reactions. Given its distinctive 3D morphology and stability in aqueous solution, the 3D·GC electrode exhibits significantly higher electrocatalytic activity than the commercial GC. Moreover, the rough surface of the 3D·GC electrode is favorable for direct immobilization of catalytic sites, such as metals (Au and Ag) and single-atom catalysts. The developed method for immobilizing single Ni sites is successfully applied to the 3D·GC electrode, resulting in the Ni SAC-3D·GC electrode that exhibits high CO selectivity and durability for electrochemical CO2 reduction. The Faradaic efficiency of CO is over 90% across a wide potential range. Due to direct immobilization, the Ni SAC-3D·GC electrode shows remarkable stability even after multiple reuse cycles, indicating its potential for long-term electrocatalytic applications. To gain an understanding of the mechanism underlying the high CO selectivity during CO2 reduction, the theoretical interactions between the individual Ni sites and the carbon substrate are explored. This theoretical analysis highlights the crucial role of the carbon substrate in stabilizing the COOH intermediate for electrochemical CO2 reduction under neutral conditions.

Excellent Bifunctional Oxygen Evolution and Reduction Electrocatalysts (5A1/5)Co2O4 and Their Tunability.

Hastening the progress of rechargeable metal-air batteries and hydrogen fuel cells necessitates the advancement of economically feasible, earth-abundant, inexpensive, and efficient electrocatalysts facilitating both the oxygen evolution reaction (OER) and oxygen reduction reaction (ORR). Herein, a recently reported family of nano (5A1/5)Co2O4 (A = combinations of transition metals, Mg, Mn, Fe, Ni, Cu, and Zn) compositionally complex oxides (CCOs) [Wang et al., Chemistry of Materials, 2023,35 (17), 7283-7291.] are studied as bifunctional OER and ORR electrocatalysts. Among the different low-temperature soft-templating samples, those subjected to 600 °C postannealing heat treatment exhibit superior performance in alkaline media. One specific composition (Mn0.2Fe0.2Ni0.2Cu0.2Zn0.2)Co2O4 exhibited an exceptional overpotential (260 mV at 10 mA cm-2) for the OER, a favorable Tafel slope of 68 mV dec-1, excellent onset potential (0.9 V) for the ORR, and lower than 6% H2O2 yields over a potential range of 0.2 to 0.8 V vs the reversible hydrogen electrode. Furthermore, this catalyst displayed stability over a 22 h chronoamperometry measurement, as confirmed by X-ray photoelectron spectroscopy analysis. Considering the outstanding performance, the low cost and scalability of the synthesis method, and the demonstrated tunability through chemical substitutions and processing variables, CCO ACo2O4 spinel oxides are highly promising candidates for future sustainable electrocatalytic applications.

Synthesis and Electrocatalytic Applications of Layer-Structured Metal Chalcogenides Composites.

Featured with the attractive properties such as large surface area, unique atomic layer thickness, excellent electronic conductivity, and superior catalytic activity, layered metal chalcogenides (LMCs) have received considerable research attention in electrocatalytic applications. In this review, the approaches developed to synthesize LMCs-based electrocatalysts are summarized. Recent progress in LMCs-based composites for electrochemical energy conversion applications including oxygen reduction reaction, carbon dioxide reduction reaction, oxygen evolution reaction, hydrogen evolution reaction, overall water splitting, and nitrogen reduction reaction is reviewed, and the potential opportunities and practical obstacles for the development of LMCs-based composites as high-performing active substances for electrocatalytic applications are also discussed. This review may provide an inspiring guidance for developing high-performance LMCs for electrochemical energy conversion applications.

Highly Dispersed Ultrasmall High-Entropy Alloys Nanoparticles as Efficient Electrocatalysts for Oxygen Reduction in Acidic Media.

High-entropy alloys nanoparticles (HEAs NPs) have gained considerable attention due to their extensive compositional tunability and intriguing catalytic properties. However, the synthesis of highly dispersed ultrasmall HEAs NPs remains a formidable challenge due to their inherent thermodynamic instability. In this study, highly dispersed ultrasmall (ca. 2nm) PtCuGaFeCo HEAs NPs are synthesized using a one-pot solution-based method at 160°C and atmospheric pressure. The PtCuGaFeCo NPs exhibit good catalytic activity for the oxygen reduction reaction (ORR). The half-wave potential relative to the reversible hydrogen electrode (RHE) reaches 0.88V, and the mass activity and specific activity are approximately six times and four times higher than that of the commercial Pt/C catalyst. Based on X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) analyses, the surface strain and optimized coordination environments of PtCuGaFeCo have led to high ORR activities in acidic media. Moreover, the ultrasmall size also plays an important role in enhancing catalytic performance. The work presents a facile and viable synthesis strategy for preparing the ultrasmall HEAs NPs, offering great potential in energy and electrocatalysis applications through entropy engineering.

Improving dispersion of indium polyphthalocyanine on carbon nanotube via molecular modification for efficient oxygen reduction to hydrogen peroxide

Molecular catalysts have emerged as the promising candidate for oxygen reduction to hydrogen peroxide (H2O2). Dispersing homogeneously molecular catalyst on carbon support is the prerequisite for actual electrocatalysis application. Herein, we proposed a novel strategy of modification with sodium dodecylbenzenesulfonate (SDBS) to improve dispersion of indium polyphthalocyanine (InPPc) on carbon nanotube (CNT). The SDBS modification induces the matched surface hydrophilicity of CNT with InPPc, preventing InPPc aggregation. As a result, the InPPc/SDBS@CNT exhibits a remarkable onset potential of 0.84 V vs. RHE and selectivity of > 95 %, superior to InPPc/CNT and most recently reported catalysts. In situ Raman spectrum identifies the critical *OOH intermediate during H2O2 formation on InPPc/SDBS@CNT. Importantly, the InPPc/SDBS@CNT presents a prominent H2O2 production rate of 24.88 mg/cm2/h over 12 h in flow cell. This work provides an effective strategy to promote practical application of molecular catalysts.

Recent progress in two-dimensional materials for generation of hydrogen peroxide by two-electron oxygen reduction reaction

Hydrogen peroxide (H2O2) is an important green oxidant with a wide range of applications in wastewater treatment, pulp bleaching and chemical synthesis. In recent years, two-electron oxygen reduction reaction (2e-ORR) is expected to be a greener and safer alternative to the more energy-intensive and also carcinogenic anthraquinone process. Among the various electrocatalysts for 2e-ORR, two-dimensional nanomaterials have special advantages in the electrosynthesis of H2O2 due to their large specific surface area, abundant basal and edge sites, and tunable atomic structure. This review article summarizes the synthesis methods, and the strategies and mechanisms for enhancing 2e-ORR properties of 2D materials. Practical problems and serious challenges faced by 2D nanomaterials in the synthesis and 2e-ORR applications are elaborated. The aim of this review is to provide researchers with an understanding of 2D nanomaterials in electrocatalytic applications and to promote the further development of novel 2D nanoelectrocatalytic materials.

Uncovering Key Factors in Graphene Aerogel-Based Electrocatalysts for Sustainable Hydrogen Production: An Unsupervised Machine Learning Approach.

The application of principal component analysis (PCA) as an unsupervised learning method has been used in uncovering correlations among diverse features of aerogel-based electrocatalysts. This analytical approach facilitates a comprehensive exploration of catalytic activity, revealing intricate relationships with various physical and electrochemical properties. The first two principal components (PCs), collectively capturing nearly 70% of the total variance, attested the reliability and efficacy of PCA in unveiling meaningful patterns. This study challenges the conventional understanding that a material's reactivity is solely dictated by the quantity of catalyst loaded. Instead, it unveils a complex perspective, highlighting that reactivity is intricately influenced by the material's overall design and structure. The PCA bi-plot uncovers correlations between pH and Tafel slope, suggesting an interdependence between these variables and providing valuable insights into the complex interactions among physical and electrochemical properties. Tafel slope stands to be positively correlated with PC1 and PC2, showing an evident positive correlation with the pH. These findings showed that the pH can have a positive correlation with the Tafel slope, however, it does not necessarily reflect a direct positive correlation with the overpotential. The impact of pH on current density (j)and Tafel slope underscores the importance of adjusting pH to lower overpotential effectively, enhancing catalytic activity. Surface area (from 30 to 533 m2 g-1) emerges as a key physical property, inclusively inverse correlation with overpotential, indicating its direct role in lowering overpotential and increasing catalytic activity. The introduction of PC3, in conjunction with PC1, enriches the analysis by revealing consistent trends despite a slightly lower variance (60%). This reinforces the robustness of PCA in delineating distinct characteristics of graphene aerogels, affirming their potential implications in diverse electrocatalytic applications. In summary, PCA proves to be a valuable tool for unraveling complex relationships within aerogel-based electrocatalysts, extending insights beyond catalytic sites to emphasize the broader spectrum of material properties. This approach enhances comprehension of dataset intricacies and holds promise for guiding the development of more effective and versatile electrocatalytic materials.