Achieving and controlling mechanical responses in single crystals with complex coordination architectures remains challenging. Here, we report the design and synthesis of a homologous series of one-dimensional cadmium(II) coordination polymers that exhibit controllable bending under an external load. Systematic modification of imidazole-based ligands modulates the periodic Cd⋯Cd separation along the chains, thereby tuning the macroscopic response from elastic to plastic. Based on experimental results and data analysis, we identified an inverse correlation between the metal-metal repeat distance and the attainable elastic strain, consistent with a molecular-spring-like Cd-Cl-Cd backbone. In parallel, the imidazole chromophores endow all materials with stable blue photoluminescence under 365 nm excitation. The convergence of mechanical adaptability and intrinsic emission identifies these crystals as promising candidates for flexible optoelectronic components and optical waveguides.

Ligand field theory (LFT) is generally formulated either as an application of the linear combination of atomic orbitals (LCAO) molecular orbital (MO) model (LFT-MO) or as freely-parameterised crystal field theory with the global crystal field replaced by the local cellular ligand field (CLF) formalism (LFT-CLF). LFT-MO and LFT-CLF are conceptually and numerically different. These differences are highlighted by the LFT-MO concept of an 'inverted ligand field' (ILF). Using formally low-spin d and d ML complexes, it is demonstrated that the LFT-MO ILF concept does not account for how the structures and reactivities of these systems change as a function of L or formal metal oxidation state. The LFT-MO overlap picture is an incomplete representation of how the sub-shell d electrons in transition metal complexes actually interact with their surroundings. The LFT-CLF picture of d electrons localised on the metal, but sensitive to the topology of the ligand field potential, , is a better model. However, does not invert. Instead, the 'internal redox' chemistry that the ILF concept attempts to rationalise is described the LFT-CLF . Conceptually, a d-level breach occurs when the bonding levels get too high or the d levels get too low. The empty d levels are filled and the integrity of the original d configuration is compromised. A d-level breach should be abrupt with a significant impact on the geometric and electronic structure. This behaviour is confirmed computationally. The d-level breach is thus a significant descriptor for predicting enhanced ligand electrophilicity while the absence of a breach unambiguously and definitively confirms the d configuration and metal oxidation state. In contrast, the %d components of canonical LCAO-type MOs used to invoke an ILF are unreliable descriptors and cannot be used to assign oxidation states. In general, ILFs have little chemical relevance but they are important here since they highlight several conceptual and numerical deficiencies of the theory which has underpinned the LFT-MO picture of TM systems for over 60 years.

Electrochemical Li (de)insertion in the lithium tantalum phosphate bronze LiTaPO structure was performed for the first time. Using density functional theory calculations, the formation energies of various LiTaPO ( = 0, 0.5, 1, and 1.5) configurations were obtained, and the most stable compositions were identified for each lithium content. The electron density of states is estimated for structures with minimum and maximum Li contents. Our analysis revealed that LiTaPO ( = 0) exhibited a band gap greater than 3 eV, consistent with its known behavior as a solid electrolyte. In contrast, LiTaPO ( = 1.5) featured a zero band gap. Then LiTaPO was successfully prepared using the solid-state synthesis method. The measured discharge/charge capacities were equal to 67 mAh g (1.3 Li per f.u.) and 45 mAh g (0.9 Li per f.u.), which were 88% and 60% of the theoretical values. Based on the cyclic voltammetry data, both diffusion-controlled reactions and pseudocapacitive/adsorption processes were detected. High Li diffusion coefficients of 5.7 × 10 cm s (discharge) and 8.8 × 10 cm s (charge) were established. According to X-ray powder diffraction data, Li (de)insertion occurred through a solid solution and a two-phase mechanism.

A series of hydroboration reactions involving terminal alkyne, internal alkyne, and alkynylphosphine using Ru-(σ-borate) complexes has been established. Initially, Cp*-based Ru-(σ-borate) complexes, [Cp*Ru(κ-,,-BHL)] (L = CHNE, E = S, Se), denoted as 2E, were synthesized a modified and efficient route. To assess the impact of secondary interaction mediated by heavier chalcogen atom, the reactions of 2Se with terminal alkyne were carried out, which resulted in the formation of η--σ,π-borataallyl complexes, [Cp*Ru(η--κ--BH(CHCHCOMe)L)], 3a-b. To further examine the role of ancillary ligands in the hydroboration process, two distinct Ru-(σ-borate) complexes were selected, , Ru-(σ-borate)(dihydridoborate), /-4, and Ru-bis(dihydridoborate), /-5. Treatment of /-4 with methyl propiolate yielded borataallyl complexes, /-[(κ-,,'-BH(L))Ru(η--κ--BH(CHCHCMeO)L)], 6a-b. The formation of complex 6 was attributed to the addition of the metal-bound σ(B-H) bond across the alkyne CC bond, followed by coordination of the resulting hydroborated olefin unit to the ruthenium centre. In contrast, prolonged thermolysis of /-4 with an internal alkyne, diphenylacetylene, led to the formation of thiolate-bridged bimetallic ruthenium complex, [(κ-,-L)Ru{(μ-κ-,-L)(μ--L)}] (7). A notable structural feature of complex 7 is the presence of bidentate bridging ligands, observed in two tautomeric forms, , pyridine-2-thiolate and pyridinyl-2-thione. Given that alkynylphosphine possess enhanced electron density at the alkynyl moiety and offer an additional coordination site through the phosphine group, the reaction of /-4 with PhP-CC-SiMe was subsequently performed. Interestingly, preferential coordination of the soft nucleophilic phosphine group occurred over hydroboration of the CC bond, resulting in the formation of a Ru-(σ-borate) complex, /-[(PhP-CC-SiMe)Ru(κ-,,'-BH(L))(κ-,-BHL)] (8). In an extension, the hydroboration of diphenylacetylene with /-5 yielded η--σ,π-borataallyl complexes, /-[(κ-,,-BHL)Ru(η--κ--BH(PhCCHPh)L)] (9). In contrast, treatment of /-5 with an alkynylphosphine substrate led to the formation of mono (10) and bis (11) phosphine-coordinated σ-borate complexes. Density functional theory (DFT) calculations were conducted to assess the thermodynamic feasibility of these hydroboration pathways and to gain bonding insights into the resulting borataallyl complexes.

Single-phase mixed zirconium phosphite phosphonates with layered and pillared structures were prepared by direct reaction of a zirconyl salt and phosphorous acid with phenylphosphonic or -xylenediphosphonic acid, respectively. Materials with different chemical compositions were prepared by changing the phosphorous acid/phosphonic acid molar ratio in the mother solution between 1 and 4. The compounds were characterised by XRPD, P MAS NMR, SEM, and FTIR analyses. The adsorption/desorption properties toward nitrogen and hydrogen at 77 K and the dichloromethane (DCM) uptake from the vapor phase at 30 °C were studied. All materials exhibited a Specific Surface Area (SSA) of ≥ 200 m g, due to the contribution of micro-, meso- and macropores. The estimated micropore volume, , increased with increasing SSA and affected the hydrogen uptake that reached 1.43 mmol g at 77 K with the zirconium phosphite phenylphosphonate compound having the highest value. The DCM uptake reached 1300 mg g with the zirconium phosphite -xylenediphosphonate having the highest macroporosity. The zirconium phosphite phenylphosphonate in the gel form was proved to disperse well in a PLA matrix, even at high filler loadings, affecting its physico-chemical properties.

The ligand HCl (H·2HCl) [(3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)methylene)]pyridine-2,6-dicarbohydrazide dichloride] was prepared from the Schiff base condensation of pyridine-2,6-dicarbohydrazide with pyridoxal hydrochloride in methanol. Reaction of H·2HCl with CuCl·4HO or Cu(ClO)·6HO in a MeOH/water mixture produced two 1-D copper coordination polymers with formulae {[Cu(H)Cl(HO)]Cl·HO} (1) and {[Cu(H)Cl(HO)(ClO)][ClO]·2HO} (2) respectively. Similarly, reaction of H·2HCl with NiCl·6HO, Ni(ClO)·4HO or Ni(NO)·6HO afforded the trimetallic complex [Ni(H)(HO)]Cl·4HO (3), the 1-D polymer {[Ni(H)(NO)(HO)](NO)·HO} (4) and [Ni(H)(HO)](ClO)·3HO (5). The crystal structures of 1-5 were determined by X-ray diffraction. All complexes 1-4 exhibit the same geometric arrangement of the ligand with the central metal linked to the terminal metal ions by a -diazine linker with the diazine and pyridoxal arms coordinating in a tridentate NO donor fashion, while the central metal atom is coordinated by the ligand in a tridentate fashion by the pyridine and two diazine-N atoms. Water and coordinating anions complete the coordination environment around the Cu and Ni ions. The ligand adopts the same geometry in 5 but is not deprotonated and does not possess a central metal atom. Magnetic measurements (5-300 K) reflect strong antiferromagnetic exchange across the 1,2-diazine bridge.

The development of high-performance anode materials remains a key challenge for sodium-ion batteries (SIBs). Among various anode candidates, carbon-based materials have attracted significant attention owing to their low cost, high abundance, and excellent electrical conductivity. However, their practical application is still hindered by several limitations. Herein, we report a simple and effective strategy for synthesizing hard carbon anodes (NLHC) derived from loofah hydrothermal treatment. The resulting NLHC delivers a high reversible capacity of 334.8 mA h g and an initial coulombic efficiency (ICE) of 71.92%, alongside superior long-term cyclability, retaining 191.3 mA h g after 1000 cycles at 1000 mA g. Sodium-storage mechanism analysis reveals an 'adsorption-intercalation' mechanism. Full-cell tests further demonstrate a high average voltage of ∼3.3 V, a specific capacity of 233.4 mA h g, and an energy density of 218.5 Wh kg. The full cell also demonstrates excellent cyclic stability, retaining 65.80% of its capacity after 200 cycles at 500 mA g. This work offers valuable insights into the design of high-performance SIB anodes and highlights the potential of biomass-derived carbons for sustainable energy storage applications.

A comprehensive geometrical and bonding analysis of heterobimetallic dimetallocenes of the form [Cp-Be-M-Cp], where M represents group 13 elements (B, Al, Ga, In, Tl), is presented. The equilibrium geometry of dimetallocenes indicates a collinear geometry along the centre of the two Cp rings, the Be centre and the group 13 element, except for the Tl complex. Optimised geometries reveal that Be-C bond distances decrease when the group 13 element changes from B to Tl. The molecular orbital and NBO analyses show a Be-M σ-bond formed by the overlap of the 2s orbital of Be with the sp hybrid orbital of the group 13 element. The percentage of s character in the sp hybrid orbital increases as the group 13 element changes from B to Tl. However, the natural population analysis (NPA) indicates a significant charge polarisation with a low value of the Wiberg bond index. Energy decomposition analysis with natural orbitals for chemical valence (EDA-NOCV) reveals that the Be-M σ bond can be represented by a donor-acceptor interaction (Cp-Be ← M-Cp). Apart from the bonding interaction, there exists a slight π bonding interaction arising from hyperconjugative donation from the [BeCp] bonding molecular orbital to the [BCp] antibonding molecular orbital. Even though the strength of the Be-M bond decreases, the percentage of covalent interaction increases when the group 13 element changes from B to Tl.

Chromium(VI) (Cr(VI)), a toxic metallic element, is commonly present in water sources and exhibits high toxicity. There is an urgent need to establish an efficient and selective Cr(VI) detection method. Nanozyme-based colorimetric detection is characterized by simplicity, intuitiveness, and high sensitivity, making it advantageous for rapid and visible Cr(VI) detection. We synthesized a colorimetric approach to detect Cr(VI) coupling iron-nitrogen-doped carbon (Fe-N-C) with 8-hydroxyquinoline (8-HQ) as the specific recognition component in the current study. Fe-N-C was generated through microwave heating within 5 min, a significantly shorter duration compared to traditional electric heating methods. Cr(VI) detection was achieved by utilizing the excellent peroxidase-mimicking activity of Fe-N-C, selecting 3,3',5,5'-tetramethylbenzidine (TMB) as the chromogenic substrate and 8-HQ as the recognition element. The method is based on the specific affinity between 8-HQ and Cr(VI), which helps to reproduce the blue features of oxidized TMB (oxTMB). Furthermore, the sensing mechanism of the sensor was systematically studied. It was shown that 8-HQ, as a radical scavenger, competed with TMB for radicals and thus inhibited TMB oxidation. The developed sensor has high sensitivity (detection limit of 0.13 μM) and a broad linear range (1 to 130 μM). It selectively detects Cr(VI) over other cations and works well in Yangtze River water samples.

This work represents a comprehensive investigation into the synthesis, morphology, and electronic structure of NiV-layered double hydroxide (NiV-LDH) nanoflakes for enhanced photocatalytic applications. Ultrathin NiV-LDHs with varying Ni and V ratios were successfully synthesized a green reflux method. The presence of oxygen vacancies (O) and the high surface area of NV-2 synergistically tuned the electronic structure and facilitated the charge segregation by trapping the photogenerated electrons (e), suppressing their rapid recombination with holes (h), and leading to an enhanced catalytic efficiency. Consequently, the optimized NV-2 photocatalyst exhibited the highest photocatalytic hydrogen peroxide (HO) production of 1152.5 ± 38.2 μmol g h from O in an ethanol-water solution and 81.5% of Cr(VI) reduction in 2 h under visible light irradiation while demonstrating excellent stability for up to five cycles. In addition, the NV-2 exhibited a solar to chemical conversion efficiency rate (SCC) of 0.089% for photocatalytic HO production. The scavenger testing of NV-2 implied that the production of HO followed a direct two-electron pathway. Likewise, the Cr(VI) reduction by NiV-LDHs followed pseudo-first order kinetics. The low intense photoluminescence spectra, highest photocurrent density, smallest arc radius in the impedance spectra of NiV-LDHs, along with the Mott-Schottky (MS) analysis, led to an understanding of the mechanistic aspects of their photocatalytic activities. This work highlights a cost-effective, eco-friendly strategy for developing defect-engineered LDH materials with promising potential for environmental remediation and sustainable photocatalysis.

Histatins are histidine-rich salivary peptides whose antimicrobial activity emerges from a delicate interplay between proteolytic cleavage and metal coordination. We quantified Cu(II) and Zn(II) binding to histatin 1 and its hydrolytic products (histatin 1-2 and histatin 2), as well as to histatin 7 and histatin 9, and related thermodynamic and spectroscopic properties to activity. Histatins form stable metal complexes, with Cu(II) binding occurring primarily the ATCUN motif in histatin 1 and histatin 1-2, and with Zn(II) coordination following the -HEXXH- motif. In contrast to simple electrostatic expectations, adding terminal Arg residues neither measurably stabilizes Zn(II) complexes nor enhances bactericidal activity. Across ATCC pathogens tested, activities remain modest and largely decoupled from complex stability, with only isolated effects upon metallation. Overall, two main conclusions may be drawn: (i) proteolysis mainly reshapes peptide topology and surface contacts rather than activating a metal-dependent mechanism and (ii) environmental pH together with anchoring to hydroxyapatite are likely the main drivers of efficacy . We propose a working model in which site-selective hydrolysis positions histatins at the enamel-biofilm interface, while Cu(II)/Zn(II) binding acts as a structural governor rather than a direct antimicrobial switch. This reframes design rules for histatin-like therapeutics: optimize localization and pH-gated charge distribution first and then treat metallation as a context-dependent modulator.

The high cost of catalysts remains a major bottleneck for water electrolysis hydrogen production, making the development of cost-effective and efficient non-precious-metal catalysts an urgent priority. In this study, we synthesized selenium vacancy-rich iron selenide (FeSe) through an electro-precipitation method. Combined theoretical calculations and experimental characterization confirm that these selenium vacancies serve as highly efficient active sites, effectively modulating the local electronic structure of Fe centers and optimizing their adsorption behavior toward reaction intermediates. In the oxygen evolution reaction (OER), this defective structure significantly enhances water molecule adsorption and dissociation while minimizing the activation energy barrier of the rate-determining step. Benefiting from these features, the Se-deficient FeSe catalyst exhibits high OER performance, requiring only 274.8 mV overpotential to achieve 50 mA cm while demonstrating remarkable stability for 100 h at 100 mA cm, highlighting its rapid OER kinetics.

Synthesis of novel zeolites is a hot topic in the field of zeolite chemistry. Considering their unique shape-selective catalysis and adsorption-separation abilities for different molecules, construction of novel zeolites with different pore sizes (ultra-small-pore, small-pore, medium-pore, large-pore, extra-large-pore, and micro-mesopore zeolites) is of great significance. Recently, many synthetic strategies have been developed to synthesize novel zeolites with different pore sizes. In this review, we briefly summarize the synthesis of novel zeolites with different pore sizes reported during the past five years by discussing various strategies such as those adopting designed structure-directing agents, reconstruction, topotactic condensation, interchain expansion, interlayer expansion, heteroatom substitution, charge density mismatch, and multiple inorganic cations, where the choice of synthesis strategy is critical for size control of zeolite micropores.

The continuing challenge of drug resistance and the limited efficacy of anticancer conventional therapies underlines the urgent need to develop new medicinal strategies. Metal-based compounds have appeared as promising candidates in medicine, especially in oncology, including lanthanides offering exceptional physicochemical properties such as luminescence, paramagnetism, and radiotherapeutic potential. Despite their growing obvious role in diagnostics and imaging, the biological applications of lanthanide compounds remain underexplored, although a few are used in the clinic including radiopharmaceutical, radioligand therapy, radioimmunotherapy and radioembolization device exist for specific purposes. There is a particularly low number of lanthanide complexes containing phosphorus-based ligands. That is why, this work highlights the potential of lanthanide inorganic compounds with phosphorus-based ligands, especially phosphine and phosphine oxide ligands coordinated to the metal ion as multifunctional anticancer agents. These compounds exhibit strong versatility, and ability to stabilize lower oxidation states of metal ions, enabling their use in numerous therapeutic modalities, such as chemotherapy, radiotherapy, photodynamic therapy (PDT), and theranostics. The integration of lanthanide ions with organophosphine ligands offers a promising platform for targeted drug delivery, multimodal treatment, and personalized medicine. This manuscript provides an overview of current clinical and preclinical reports and as such, highlighting the untouched potential of the combined lanthanide-phosphine class of inorganic compounds that could be developed as a next-generation therapy, especially towards cancer diseases.

The visible-light-driven photoreduction of CO into value-added chemicals is regarded as a promising approach to alleviating the energy crisis and addressing climate change. Heterogeneous organic photocatalysts based on π-conjugated monomers, including organic polymers/organic supramolecules composed of π-conjugation units, have demonstrated significant progress in CO photoreduction, attributed to their remarkable light absorption, abundant reserves of constituent elements, and tunable molecular structures. This review provides a comprehensive yet focused exploration of the general structural features of organic polymers/organic supramolecules composed of π-conjugation units, offering structure-driven design strategies tailored to address the key limitations associated with each material class in the field of CO photoreduction. For the organic polymers, molecular engineering, interfacial modification, and morphological control collectively overcome key thermodynamic and kinetic bottlenecks in CO photoreduction, leading to enhanced catalytic performance. Many of these approaches are equally applicable to organic supramolecules, wherein we further highlight the design of π-conjugated units that simultaneously serve as catalytic centers and defined sites for noncovalent interactions, and assembly strategies that enable control over aggregation states to construct precisely defined supramolecular architectures. Furnished with foundational knowledge and structure-property insights, this review predicts outstanding challenges. It outlines feasible research directions for heterogeneous organic photocatalysts based on π-conjugated monomers, offering an actionable design paradigm for advancing the rational development of next-generation organic photocatalysts for efficient solar-driven CO conversion.

In recent years a large collection of experimental information has prompted proposals that an atom, S2B, part of the catalytic metal cluster FeMo-co of the enzyme nitrogenase, is displaced during the enzyme mechanism in order to allow the binding of substrate N to the adjacent Fe atoms. Computational investigation has generated a complete enzyme mechanism in which S2B is retained in its resting state position, and as such is an agent in the enzyme mechanism. A dilemma arises, between a disruptive mechanism - with S2B moved out of the way during the reaction steps - and a conservative mechanism - with S2B retained and necessarily used. Following the Prince of Denmark, is the 2B position of FeMo-co to be S or not to be S? I have assembled the evidence and arguments in this Perspective.

One-dimensional silicon nanotubes (SiNTs) are a promising anode for Li-ion batteries (LIBs). However, the requirement of reactive chemicals and high temperature for the growth of vertically aligned SiNT hinders practical deployment. Herein, we demonstrate a soft template-assisted synthesis of one-dimensional hollow silica using Mg(OH) nanorods as a substrate hydrothermal treatment of NaSiO and Triton-X-100. The h-SiNTs obtained thereupon by magnesiothermic reduction and acid leaching of h-SiO@Mg(OH) were scribbled directly on copper foil to fabricate a binder- and conductive-agent-free anode outperforming the electrochemical performance of conventional slurry-based Si anodes in Li-ion half-cells.

Compartmental macrocycles have proven to be very successful for the synthesis of heterobinuclear transition metal complexes. We obtained a mixed-ligand FeNi thiolate complex, [FeNiL(µ-OAc)]ClO (3), where L represents a 24-membered hexaaza-dithiophenolato ligand, by metalation of either the mononuclear [Fe(HL)](ClO) (1) or [Ni(HL)](ClO) (2) complex with Ni or Fe salts in good to moderate yields. However, the homobinuclear [FeL(µ-OAc)]ClO (4), or [NiL(µ-OAc)]ClO (5), complexes are invariably formed as byproducts (≈12-15%). The metal atoms in 3 are bridged at a distance of 3.4588(5) Å by two thiolate residues and one external μ-acetato ligand to give a bioctahedral NFe(μ-(SR)(µ-OAc)NiN) core structure. Magnetic susceptibility measurements for 3 show the presence of a Fe ( = 2) ion, which is antiferromagnetically coupled to the Ni ( = 1) ion to give a = 1 ground state. Broken symmetry DFT calculations revealed = -6.88 cm ( = -). The integrity and robust nature of complex 3 is maintained in solution as confirmed by ESI mass spectrometry and UV-vis-NIR spectroscopy. Cyclic voltammetry measurements for 3 in MeCN show two electrochemically quasi-reversible redox waves which are assigned to sequential oxidations of Fe and Ni, respectively ((Fe) = +0.30 V, (Ni) = +1.29 V SCE). The [Fe(HL)] complex was isolated as a pale-yellow, paramagnetic ( = 5.41) perchlorate salt. It comprises a five-coordinated Fe ion in a distorted square-pyramidal NS coordination environment, and a system of intramolecular N-H⋯S hydrogen bonds in the free pocket of the compartmental macrocycle.

The irreversible transformation of ETPCuCl into ETPCuCl achieves functional switching from second harmonic generation to magnetism through an oxidation-induced phase transformation strategy, which not only offers a new approach to the design of novel multifunctional materials, but also guides applications in optical and spintronic devices.

Bound states in the continuum (BICs) are resonant modes that reside within a light cone yet exhibiting perfect confinement, characterized by zero spectral width, no radiative leakage, and infinite lifetime. Incorporating BICs into actively tunable materials offers a promising route to enhance optoelectronic device performance. Here, we utilize vanadium dioxide (VO) metasurfaces to realize high-performance terahertz refractive index sensing by exploiting the theoretically infinite quality () factor of BIC mode. Two types of BICs are identified in the VO metasurface: symmetry-protected BIC (SP-BIC) and accidental BIC. By investigating quasi-BIC modes near these BICs, we demonstrate outstanding refractive index sensing sensitivity and figure of merit (FOM). Notably, the quasi-BIC mode associated with the accidental BIC maintains a high FOM across varying external environment refractive indices. Furthermore, we investigated the influence of VO conductivity on sensing performance, showing that active tuning significantly enhances both sensing sensitivity and FOM. factor analysis and multipolar decomposition reveal that this improvement arises from the tunable nature of the accidental BIC. Additionally, incorporating an optical gain substrate mitigates performance degradation due to intrinsic losses. This work integrates BIC physics with active materials to achieve superior terahertz sensing, offering new insights for the design of advanced sensor devices.

A trimetallic selenide electrocatalyst (Co, Fe, Ni)Se supported on nickel foam (NF) has been successfully synthesized for the oxygen evolution reaction (OER) and urea oxidation reaction (UOR). The catalyst was fabricated through a two-step strategy involving the formation of metal-organic framework (MOF) precursors followed by a selenization reaction. The optimized (Co, Fe, Ni)Se/NF-3 : 1 exhibited remarkable OER activity with an overpotential as low as 170 mV to achieve 10 mA cm, along with excellent stability over 1000 cycles. Its superior UOR performance with even lower overpotential further demonstrates promise for urea-assisted energy-saving hydrogen production. The enhanced electrocatalytic performance originates from the synergistic electronic modulation between Co, Fe, and Ni, the rough surface morphology facilitating mass and charge transport, and the highly conductive NF substrate enabling efficient exposure of active sites. This work provides valuable insights into the design of efficient multimetallic selenide electrocatalysts for sustainable electrochemical energy conversion.