Dalton Trans [JOURNAL]
Sun
200 papers
Advanced theoretical engineering of KMH (M = Fe, Co, Ni, Cu) hydrides for novel applications in hydrogen storage.
Ahmed B, Tahir MB, Parveen A … +3 more , Abbas Z, Elsaeedy HI, Said NM
Dalton Trans · 2026 Jun · PMID 42300188 · Publisher ↗
Here, we propose a systematic first-principles study of K-based perovskite hydrides KMH (M = Fe/Co/Ni/Cu) in the framework of density functional theory. The calculated formation energies indicate the thermodynamic stabil...
Here, we propose a systematic first-principles study of K-based perovskite hydrides KMH (M = Fe/Co/Ni/Cu) in the framework of density functional theory. The calculated formation energies indicate the thermodynamic stability of all the studied compounds, which is further confirmed by the absence of imaginary frequencies in the phonon dispersion spectra. The electronic structure analysis shows metallic nature for all the systems, and the magnetic computations show that the compounds have a stable antiferromagnetic ground state. The mechanical properties, particularly elastic constants, indicate that the materials are mechanically stable and have ductile behavior. Moreover, the thermodynamic analysis verifies the stability across a wide range of temperatures. Significantly, the hydrogen storage performance is studied, indicating that these materials have potential gravimetric and volumetric hydrogen storage capacities as well as suitable desorption temperatures. These results show the potential of KMH (M = Fe/Co/Ni/Cu) hydrides as promising candidates for solid state hydrogen storage applications.
Accessing chiral NHC-boranes by abstraction of CF from the B(CF) weakly coordinating anion.
Niessen N, Adjieufack AI, Tumanov N … +4 more , Wouters J, Champagne B, Berionni G, Bijouard K
Dalton Trans · 2026 Jun · PMID 42300134 · Full text
The prolonged heating of an -heterocyclic carbene-stabilised borenium cation resulted in the abstraction of a -CF group from its B(CF) counter-anion. The resulting new chiral NHC-boranes presented an unusual / isomerism...
The prolonged heating of an -heterocyclic carbene-stabilised borenium cation resulted in the abstraction of a -CF group from its B(CF) counter-anion. The resulting new chiral NHC-boranes presented an unusual / isomerism around the newly formed plane. The corresponding borenium cation, due to its Lewis superacidity, is a potentially interesting new chiral organocatalyst.
Metal cation effects on the structural, optical and thermal properties of double tungstates AM(WO) (A = Li, Na, K; M = Y, La, Ce, Pr, Nd, Sm, Bi).
Wessels V, Hämmer M, Becker F … +3 more , Sandner A, Kaur NS, Höppe HA
Dalton Trans · 2026 Jun · PMID 42300102 · Publisher ↗
Alkali metal rare earth double tungstates AM(WO) (A = alkali metal; M = trivalent metal cation) are an extensively researched class of materials with applications not only as phosphors but also in photonics and biomedici...
Alkali metal rare earth double tungstates AM(WO) (A = alkali metal; M = trivalent metal cation) are an extensively researched class of materials with applications not only as phosphors but also in photonics and biomedicine. However, the structural, optical and thermal properties of these materials are yet to be investigated. The crystal structures of the double tungstates are elucidated and the role of the Bi lone pair activity of ABi(WO) (A = Li, Na, K) is discussed. Furthermore, the optical properties of AM(WO) are studied using UV-vis and luminescence spectroscopy. The bismuth compounds KBi(WO) and NaBi(WO) revealed s-p fluorescence from the trivalent bismuth cations, while the other compounds dependent on the trivalent cation M show either broad ligand to metal charge transfer transitions or typical f-f transitions from the rare earth cations. For most of the compounds, the energy transfer from the tungstate moieties towards the rare earth elements was successful, verifying an effective antenna. The luminescence behaviour of the polymorphs LiLaPr(WO) shows different intensities of the respective f-f transitions of Pr with respect to the doping concentration, especially when excited at the charge transfer transition of the tungstate units. Furthermore, the thermal properties of the double tungstates were investigated by elucidating the phase transition temperatures for those polymorphs exhibiting two temperature phases. For LiM(WO) (M = La, Ce, Pr, Nd), the phase transition temperature revealed a trend for different sized rare earth elements from the low- to the high-temperature polymorphs. Moreover, MAPLE calculations were carried out for those double tungstates with single crystal data reported for the first time.
Stereochemical control and its consequences in VO(acac) complexes: an integrated study of / isomerism with quinoline and isoquinoline.
Matusiewicz B, Tesmar A, Brzeski J … +3 more , Freza S, Kazimierczuk K, Wyrzykowski D
Dalton Trans · 2026 Jun · PMID 42300080 · Publisher ↗
In this study, a combination of experimental and theoretical methods was applied to rigorously characterize the factors controlling the stereochemistry of three novel adducts: VO(acac)(-quinoline) (1), VO(acac)(-isoquino...
In this study, a combination of experimental and theoretical methods was applied to rigorously characterize the factors controlling the stereochemistry of three novel adducts: VO(acac)(-quinoline) (1), VO(acac)(-isoquinoline) (2), and VO(acac)(-isoquinoline) (3). Based on X-ray measurements, spectroscopic analysis (IR and UV-Vis) and density functional theory (DFT) calculations, it was demonstrated that the coordination mode is predominantly governed by steric factors. While the isomer is favoured both kinetically and thermodynamically in most cases, the isomer becomes viable when the favourable geometry of the ligand offsets the inherent steric and entropic penalties, as shown for isoquinoline. Electronic structure analysis revealed that coordination enhances σ-donation to the vanadium center, resulting in a stronger, more polarized V-N bond, a red-shifted VO stretching frequency, and a blue-shifted d-d transition. These findings establish clear structure-property relationships linking ligand architecture to coordination geometry, electronic structure, and thermal stability. The insights gained provide a predictive framework for the rational design of VO(acac)-based complexes with tailored stereochemistry and optimized properties for applications in catalysis, materials science, and bioinorganic chemistry.
The design of earth abundant metal catalysts for nitrous oxide-based oxidations: Part I. NO coordination and oxygen-transfer to metal.
Nicholas KM
Dalton Trans · 2026 Jun · PMID 42300075 · Publisher ↗
Nitrous oxide (NO) is thermodynamically unstable, but kinetically unreactive, and thus presents a fundamental challenge for catalysis. It is also a potent greenhouse gas, yet it is underutilized as a chemical feedstock a...
Nitrous oxide (NO) is thermodynamically unstable, but kinetically unreactive, and thus presents a fundamental challenge for catalysis. It is also a potent greenhouse gas, yet it is underutilized as a chemical feedstock and thus provides a practical opportunity for catalysis as well. A computational design approach is employed in this first part of a two-part study to evaluate the potential of selected first row transition metal complexes to activate NO as an oxidant for various substrates. Density Functional Theory (DFT) calculations are employed on several ligated transition metal fragments LM, M = V(III), Fe(II), Mn(II), Cr(II), Cu(I) and second row Ru(II) with 4/5-coordinate geometries to assess their NO binding affinity and energetics for N-O cleavage to LMO. The effects of the ligand, coordination number, the metal, its spin state, charge, . are addressed. The key points from the DFT analysis and energy profiles are: (1) favorable NO binding (Δ < 0) is correctly predicted for known NO complexants: (-3Pyr)V, [Al(OR)]Cu and (NH)Ru; (2) for a range of unproven complexants, the NO-affinity ranges from moderate (Δ -5 to +2 kcal mol) to low (Δ > +5 kcal) in the order Cr(II) > Ru(II) ≥ Fe(II) ≅ Mn(II) ≅ Cu(I); (3) M-N binding to NO is generally more stable than M-O binding, but is nearly isoenergetic for many high spin metal fragments; (4) N-O cleavage monometallic complexes, LM-ON (M = Fe(II), Mn(II), Cu(I)) requires moderate-to-high activation energies, (23-40 kcal mol), but the barriers are much lower for LCr(II) and LRu(II) species (3-17 kcal mol); (5) N-O cleavage is facilitated by pyramidal and penta-coordinating ligands; (6) from NO-bimetallics is very low: 1-5 kcal mol; and (7) the total activation energy barriers for bimetallic-NO complexes, 20-30 kcal mol, are 5-8 kcal mol lower than for mono-metallics, providing a bimetallic advantage for NO scission to oxido-metals, LMO.
FeO-functionalized UiO-66 with facile magnetic recovery for high-capacity and rapid uranium removal from contaminated aqueous solutions.
Hu Y, Chen Z, You D … +5 more , Tu R, Xu M, Zhang J, Zhao J, You M
Dalton Trans · 2026 Jun · PMID 42300073 · Publisher ↗
Nuclear energy serves as a cornerstone for realizing "dual-carbon" targets, yet the purification of uranium-contaminated aqueous systems remains a major bottleneck hampering the sustainable advancement of the nuclear ind...
Nuclear energy serves as a cornerstone for realizing "dual-carbon" targets, yet the purification of uranium-contaminated aqueous systems remains a major bottleneck hampering the sustainable advancement of the nuclear industry. In this work, a magnetic FeO@UiO-66 composite was fabricated a sequential solvothermal synthesis of UiO-66 followed by an hydrothermal growth of FeO. The batch adsorption experiment demonstrated that the adsorption process of U(VI) on the FeO@UiO-66 composite rapidly reaches equilibrium within 20 min, and its saturated adsorption capacity (338.78 mg g) is 12.6 times that of pure FeO (26.91 mg g). The adsorption data were well described using monolayer chemisorption models, as supported by both isotherm and kinetic fittings. Furthermore, the adsorbent enables swift isolation from the aqueous solution with the aid of an external magnetic field post-adsorption. This novel FeO@UiO-66 composite thus offers an effective strategy for radioactive uranium decontamination in water, combining high adsorption performance with facile magnetic recovery.
Dual functionalization of UiO-66-NH for efficient and selective Au(III) adsorption: the synergistic effect of electrostatic and coordination interactions.
Zhang C, Lv X, Su Z … +7 more , Zhang S, Liu X, Wang X, Yang F, Wang X, Zhao H, Wang Y
Dalton Trans · 2026 Jun · PMID 42300068 · Publisher ↗
This study describes a dual-functionalized metal-organic framework (MOF), UiO-66-AVIM-TSC, for efficient and selective Au(III) adsorption from aqueous solutions. Prepared polymerization of an amino-functionalized imidaz...
This study describes a dual-functionalized metal-organic framework (MOF), UiO-66-AVIM-TSC, for efficient and selective Au(III) adsorption from aqueous solutions. Prepared polymerization of an amino-functionalized imidazolium ionic liquid (AVIM) on UiO-66-NH and subsequent modification with thiosemicarbazide (TSC), the obtained UiO-66-AVIM-TSC is characterized by Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), zeta potential measurements, and X-ray diffraction, confirming the successful functionalization and structural integrity. Adsorption experiment results reveal that UiO-66-AVIM-TSC exhibits a maximum adsorption capacity of 220.26 mg g at room temperature under an optimal adsorption pH of 3.0, outperforming UiO-66-NH and UiO-66-AVIM. The adsorption isotherm and kinetic data align with the Langmuir model and pseudo-second-order isotherm model, suggesting that the adsorption mechanism is primarily chemical adsorption on a homogeneous surface. Thermodynamic analysis indicates that the adsorption is an endothermic (Δ° = 64.736 kJ mol) and spontaneous (Δ° < 0) process. The adsorbent UiO-66-AVIM-TSC also shows high Au(III) selectivity over coexisting ions (Zn, Cu, .) and retains >85% efficiency after four rounds of recycling. It is found that the adsorption is mainly dominated by ion exchange and coordination, and the reduction of Au(III) into Au(I) and Au(0) is also involved in the adsorption process.
Glycoconjugated Re(CO) complexes: syntheses, characterization, cytotoxicity and cellular localization.
Abdolahi Sanati B, Gilleard EL, Teixeira T … +5 more , Korbas M, Niwa Y, Rauk A, Rocha FV, Jalilehvand F
Dalton Trans · 2026 Jun · PMID 42300062 · Publisher ↗
Rhenium tricarbonyl complexes with the general formula -[Re(CO)(,')L] (where ,' = a bidentate polypyridyl ligand and L = a monodentate axial ligand) have been recognized over the past decade as potential anticancer thera...
Rhenium tricarbonyl complexes with the general formula -[Re(CO)(,')L] (where ,' = a bidentate polypyridyl ligand and L = a monodentate axial ligand) have been recognized over the past decade as potential anticancer therapeutics. In the present study, we introduced glycoconjugated diimine ligands into such complexes to enhance their water solubility, biocompatibility and bioavailability, and to target the overexpressed glucose transporters (GLUTs) on cancer cells. We prepared a series of water-stable Re(I) complexes (1-4) with the general formula [Re(CO)(,')L](CFSO), where ,' = a glycoconjugated diimine (GluP, GluQ, and AcGluP) and L = imidazole (HIm) or indazole (HIn), and tested their cytotoxicity against a series of cancer cell lines. All complexes were characterized using electrospray ionization mass spectrometry, NMR spectroscopy and X-ray absorption spectroscopy. The structure of the diimine ligand (,') and the lipophilicity of the complexes were varied, by protecting the hydroxyl (-OH) groups of the glucose moiety with acetyl groups in complex 4, -[Re(CO)(β-AcGluP)(HIn)](CFSO), to compare potential GLUT-mediated transport passive diffusion uptake. cytotoxicity results revealed that the more lipophilic complexes 3, -[Re(CO)(GluQ)(HIn)](CFSO), and 4 have moderate cytotoxicity. X-ray fluorescence microscopy (XFM) allowed us to evaluate the cellular distribution of complexes 3 and 4 in A2780 ovarian cancer cells. Complex 3, which has unprotected sugar -OH groups, accumulated more in the nuclear/perinuclear area. In contrast, the more lipophilic complex 4 showed lower Re accumulation and a more uniform intracellular distribution. For the non-cytotoxic hydrophilic complex 1, -[Re(CO)(GluP)(HIm)](CFSO), XFM showed a much weaker intracellular Re signal, while ICP-MS detected significant uptake by HepG2 liver cancer cells. The observations suggest partial involvement of glucose transport pathways in the uptake of complexes 1 and 3.
Band structure regulation and photocatalytic degradation of tetracycline by covalent organic frameworks.
Qiao J, Zhao Y, Qin J … +3 more , Chen S, Ou J, Pang M
Dalton Trans · 2026 Jun · PMID 42300058 · Publisher ↗
Antibiotic pollution poses significant threats to public health and ecosystems; hence, the development of highly efficient catalysts for the degradation of these pollutants is greatly needed. In this study, three Schiff-...
Antibiotic pollution poses significant threats to public health and ecosystems; hence, the development of highly efficient catalysts for the degradation of these pollutants is greatly needed. In this study, three Schiff-base COFs constructed from 1,3,5-tris(4-aminophenyl)benzene (TAPB) and different functional group R-substituted terephthalaldehyde-R (R = -CHCH, -OCH and -OH) were successfully synthesized through a solvothermal evaporation approach, and then their performance in photocatalytic degradation of antibiotics by using tetracycline as a model was investigated. By integrating experimental evaluations with theoretical calculations, 1,3,5-tris(4-aminophenyl)benzene (TAPB)-2,5-divinylterephthalaldehyde (DVA)-COF was identified as the most effective photocatalyst among the series, attributed to its favorable electronic structure and improved charge separation efficiency. This work provides an effective strategy for the rational design of high-performance COF-based photocatalysts by simply introducing different functional groups to regulate the band structure and optimize their photocatalytic performance.
Mechanochemical synthesis, solvent-controlled coordination, and catalytic oxidation activity of furoic acid-based Mo(VI) complexes.
Sarjanović J, Fiser B, Pisk J
Dalton Trans · 2026 Jun · PMID 42300046 · Publisher ↗
Polynuclear and mononuclear molybdenum(VI) complexes coordinated with water or methanol were synthesized using Schiff base ligands derived from the condensation of 2-furoic hydrazide with 2-hydroxybenzaldehyde (H2L1) or...
Polynuclear and mononuclear molybdenum(VI) complexes coordinated with water or methanol were synthesized using Schiff base ligands derived from the condensation of 2-furoic hydrazide with 2-hydroxybenzaldehyde (H2L1) or 2-hydroxy-5-nitrobenzaldehyde (H2L2), emphasising a mechanochemical synthetic pathway. The complexes were characterized using comprehensive spectroscopic techniques, while single-crystal X-ray diffraction provided definitive structural elucidation for [MoO(L)(MeOH)] (1) and [MoO(L)(HO)] (3). Thermogravimetric analysis revealed insights into the thermal stability and decomposition pathways of the complexes. DFT calculations showed that solvent donor ability controls Mo(VI) coordination and aggregation, rendering μ-oxo dimer formation thermodynamically unfavourable. The catalytic performance of six Mo(VI) complexes was investigated for the oxidation of benzyl alcohol using -butyl hydroperoxide (TBHP) in aqueous medium, with systematic optimization of the oxidant-to-substrate ratio. To explore greener alternatives, HO was also evaluated as an oxidant, and the influence of acetonitrile as a co-solvent and reaction temperature on catalytic efficiency was thoroughly studied. These results highlight the importance of ligand structure and solvent coordination in modulating catalytic activity. Overall, this study demonstrates that these Mo(VI) complexes serve as highly efficient and tunable catalysts for selective alcohol oxidation under mild and environmentally benign conditions. This work provides new insights into the design of molybdenum-based oxidation catalysts and emphasizes the potential of fine-tuning reaction parameters to achieve optimal catalytic performance.
Effect of solvents on multifunctional Dy complexes with axial chiral ligands ()/()-1,1'-binaphthyl-2,2'-diyl phosphate.
Liu CM, Zhang YQ, Hao X … +1 more , Li XL
Dalton Trans · 2026 Jun · PMID 42299996 · Publisher ↗
It is still a major challenge to construct multifunctional complexes using axial chiral ligands. Herein, the axial chiral ligands ()/()-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate (-HL/-HL) were used as bridging ligands...
It is still a major challenge to construct multifunctional complexes using axial chiral ligands. Herein, the axial chiral ligands ()/()-1,1'-binaphthyl-2,2'-diyl hydrogen phosphate (-HL/-HL) were used as bridging ligands, and together with the Schiff base bridging ligand {HL = [2-[()-(5-fluoro-2-hydroxyphenyl)methylidene]diazanyl](4-chloropyridin-2-yl)methanone}, two pairs of homochiral Dy complexes [Dy(-L/-L)(L)(DMA)]·3DMA·4HO (-1/-1) and [Dy(-L/-L)(L)(DMF)]·3DMF (-2/-2) were successfully constructed at room temperature in different solvents (DMA DMF). Interestingly, although their coordination modes as terminal ligands are very similar, the subtle differences between DMA and DMF molecules cause changes in the space groups: -1 and -1 crystallize in the 1 chiral space group, whereas -2 and -2 crystallize in the 222 chiral space group, which may affect their nonlinear optical properties: -1/-1 exhibits both SHG and THG responses, while -2 and -2 only display a THG response. Notably, -1/-1 and -2/-2 are ferromagnetically coupled and behave as single-molecule magnets (SMMs) at 0 Oe, and their magnetic properties were further studied using calculations. Moreover, the magneto-optical effects of -1/-1 and -2/-2 were investigated using their magnetic circular dichroism (MCD) spectra.
Recent advances in carbon material and covalent organic framework composites with a focus on supercapacitors.
Guan Y, Yao C, Xu Y
Dalton Trans · 2026 Jun · PMID 42299994 · Publisher ↗
In recent years, numerous carbon material and covalent organic framework (COF) composites have been reported, demonstrating remarkable potential as high-performance electrode materials for supercapacitors (SCs). COFs pos...
In recent years, numerous carbon material and covalent organic framework (COF) composites have been reported, demonstrating remarkable potential as high-performance electrode materials for supercapacitors (SCs). COFs possess advantages such as tunable frameworks, variable pore environments, and pre-designed structures. When appropriately combined with carbon materials, these composites can not only overcome the poor conductivity of COFs but also facilitate rapid mass transport in permanently open channels and provide dense active sites for efficient adsorption of electrolyte ions. This review summarizes the representative research progress of carbon material-COF composites for SC applications, focusing on structural design strategies including the introduction of redox-active sites, interfacial bonding engineering, and controlled composite construction. The applications of these composites in various SC devices are systematically discussed, covering symmetric and asymmetric configurations, as well as flexible and micro-supercapacitor devices. Moreover, we provide a critical overview of the key challenges currently facing this field, such as insufficient structural and electrochemical stability, limited ion transport in stacked structures, difficulties in achieving large-scale and reproducible synthesis, as well as inferior interfacial contact between components. On this basis, future research directions are proposed to promote the rational design and practical development of high-performance carbon-material-COF composite electrodes for advanced supercapacitors.
Evidence of aggregation-assisted antibacterial photodynamic activity against and using amphiphilic Ru(II) polypyridyl complexes.
Sakellariou AK, Tsoni SA, Varna D … +5 more , Nikopoulou M, Pavlidou E, Papi R, Bonnet S, Lazarides T
Dalton Trans · 2026 Jun · PMID 42299983 · Publisher ↗
Antimicrobial resistance represents a critical public health challenge, driving the search for therapeutic strategies that bypass conventional resistance mechanisms. Antimicrobial photodynamic therapy (aPDT) offers a pro...
Antimicrobial resistance represents a critical public health challenge, driving the search for therapeutic strategies that bypass conventional resistance mechanisms. Antimicrobial photodynamic therapy (aPDT) offers a promising alternative that is based on light-triggered non-specific oxidative damage. Herein, we report four new bis-heteroleptic Ru(II) complexes, with the general formula [Ru(N-N)(N-NX)]Cl, where N-N are the ancillary ligands, 2,2'-bipyridine (bpy) or 4,7-diphenyl-1,10-phenanthroline (DIP), and N-NX is a polyether-functionalized phenanthroline ligand. This design preserves the favourable photophysical characteristics of the [Ru(bpy)3]2+ core while enabling lipophilicity modulation. Dynamic light scattering and emission lifetime studies support that the complexes bearing the DIP ligand (Ru-DIP-O3 and Ru-DIP-O4) self-assemble into nanoaggregates in aqueous media due to their amphiphilic nature, whereas their bpy analogues remain in their monomeric form. We propose a previously undescribed aggregate architecture in which the Ru(II) core is shielded within the hydrophobic interior, while the polyether chains remain solvent-exposed. Biological evaluation of the complexes against strains reveals that Ru-DIP-O3 and Ru-DIP-O4 significantly inhibit bacterial growth, while the bpy derivatives exhibit negligible activity. Notably, Ru-DIP-O4 demonstrates at least a 16-fold enhancement in the bacteriostatic rate upon irradiation relative to dark conditions. Scanning electron microscopy studies provide evidence of membrane disruption in irradiated bacteria treated with Ru-DIP-O4. We attribute the enhanced photodynamic activity of the DIP-based complexes to aggregation-driven interactions with the bacterial membrane. Collectively, these findings underscore the therapeutic potential of rationally designed Ru(II) complexes for photodynamic applications and highlight the roles of amphiphilicity and nanoscale self-assembly as key parameters for the design of next generation aPDT agents.
Optimized energy transfer and enhanced green photoluminescence in Tb/Gd co-doped BiF nanoparticles controlled co-precipitation.
Iftikhar M, Ghorbanzadeh S, Zhang W
Dalton Trans · 2026 Jun · PMID 42299981 · Publisher ↗
Tb/Gd-codoped BiF nanoparticles were synthesized a controlled, room-temperature co-precipitation method to address the critical challenge of low photoluminescence (PL) quantum efficiency in singly Tb-doped fluoride phos...
Tb/Gd-codoped BiF nanoparticles were synthesized a controlled, room-temperature co-precipitation method to address the critical challenge of low photoluminescence (PL) quantum efficiency in singly Tb-doped fluoride phosphors. Structural analysis confirmed a stable cubic phase (3̄) with successful substitutional doping on Bi sites. At the optimal 5 : 5 mol% Tb : Gd ratio, a quantum yield of 13.5%-a fourfold enhancement over Tb-only systems-was achieved. The mechanism of enhancement operates through two complementary, excitation-wavelength-dependent pathways: (I) Under short-UV irradiation (230-260 nm), Gd acts as a sensitizer-harvesting photons its S → I/P transitions and transferring energy to Tb resonance Gd → Tb energy transfer, directly proven by excitation spectroscopy. (II) Under 365 nm excitation-where Tb is the primary absorber and Gd absorbs negligibly-Gd enhances PL efficiency through a complementary crystal field modification mechanism: Gd substitution modifies the local phonon environment around bulk Tb sites, reducing the non-radiative depopulation rate of the D excited state. This is directly evidenced by time-resolved PL decay showing +65% and +87% elongation of Tb bulk lifetime components ( and ) upon co-doping. CIE chromaticity analysis confirms high-purity green emission. These findings provide dual-mechanism characterization of Gd/Tb co-doping in BiF, establishing a rational design framework for Gd-enhanced lanthanide phosphors.
Electrocatalytic hydrogen evolution reaction using an organometallic cobalt complex and its hybrid material with MWCNTs.
Paik A, Singha A, Paul S … +5 more , Maity A, Sharma D, Rai L, Maity B, Rana S
Dalton Trans · 2026 Jul · PMID 42299979 · Publisher ↗
The electrocatalytic hydrogen evolution reactivity of a Co-C organometallic bond containing cobalt quinolyl benzamide complex has been demonstrated. The retention of the Co-C(arene) bond in this complex under electrocata...
The electrocatalytic hydrogen evolution reactivity of a Co-C organometallic bond containing cobalt quinolyl benzamide complex has been demonstrated. The retention of the Co-C(arene) bond in this complex under electrocatalytic conditions and its effect on HER activity have been elucidated. Also, a hybrid material of the Co(III) complex with MWCNTs acts as a precatalyst for the Co(OH)/CoOOH electrocatalyst in alkaline aqueous solution.
The quest for electrokinetic control over bulk zeolite synthesis: trials, challenges and effects.
Torka Beydokhti M, Ivanushkin G, Dusselier M
Dalton Trans · 2026 Jun · PMID 42299963 · Full text
While electrostatic stabilization between negatively charged aluminosilicate species and positively charged structure-directing agents is widely recognized as a key driving force in zeolite crystallization, the net inter...
While electrostatic stabilization between negatively charged aluminosilicate species and positively charged structure-directing agents is widely recognized as a key driving force in zeolite crystallization, the net interaction energy is often a superposition of Coulomb, steric, van der Waals, and solvation contributions, which are challenging to deconvolute experimentally. Close energetic competitions and metastability often prioritize kinetic control over thermodynamic stability, which cannot always be described by classical kinetic laws. Here, taking into account the charge-rich media, we hypothesize that electrokinetic control (EKC) can be considered as a reactor-based adaptation for manipulating the crystallization of microporous materials, as was illustrated in the state-of-the-art for proteins. Various crystallizing zeolite systems were experimentally studied under (high-)voltage direct and alternating current (DC and AC) electric fields (EFs) up to 20 kV, using different reactor setups. The conceptual ideas of EKC effects in steering zeolite nucleation and crystallization thermodynamics and kinetics were tested. The potential effects of EKC over hydrothermal synthesis were assessed through product phase selectivity, particle size, and aluminum content. Four different setups were developed to match the studied EF modes (internal and external, with both uniform and non-uniform fields). The setup designs and EF configurations were further complicated by the need to adapt them to the harsh conditions of bulk hydrothermal synthesis. We believe this work offers valuable insights into the effects of charge interactions during intricate zeolite synthesis. While inconclusive in many series of experiments, this experimental work details the journey of our search for EKC across a wide range of conditions. Its results, supported by conceptual theories, can guide future researchers in how to select appropriate EF parameters, build effective reactor setups, and target the right types of zeolite recipes to maximize the chances for manipulating zeolite nucleation and growth using EKC.
CrMoAlC MAX phase and its derivative CrMoCT MXene for supercapacitors and electrocatalytic water splitting.
Madhushree R, Sunajadevi KRP
Dalton Trans · 2026 Jun · PMID 42299945 · Publisher ↗
The expanding research on 2D MXenes has enabled new strategies to engineer material properties structural design. While bimetallic or double transition metal (DTM) MXenes have continued to gain attention since their eme...
The expanding research on 2D MXenes has enabled new strategies to engineer material properties structural design. While bimetallic or double transition metal (DTM) MXenes have continued to gain attention since their emergence in 2015, their versatile structure and exceptional physicochemical properties have inspired wide exploration. This study reports the synthesis of the CrMoAlC MAX phase and its derivative CrMoCT MXene (T = -F/-OH/-O), leveraging the synergistic incorporation of Cr and Mo as dual transition metals. The structural, thermal, chemical, and surface morphology characteristics were analyzed using various techniques. CrMoCT MXene exhibits superior pseudocapacitance performance as an electrode material, achieving a specific capacitance of 1350 F g at 1 A g with 84% retention over 5000 cycles. In a two-electrode asymmetric device, CrMoCT MXene delivers a specific capacitance of 438.3 F g at 1 A g, an energy density of ∼87.66 Wh kg, and a power density of 1200 W kg. Additionally, CrMoCT MXene demonstrates excellent electrocatalytic activity for water splitting applications, with overpotentials of 186 mV for the hydrogen evolution reaction (HER) and 280 mV for the oxygen evolution reaction (OER), at 10 mA cm. This dual functionality, driven by the synergistic interaction between Cr and Mo, establishes CrMoCT MXene as a promising material for both energy storage and hydrogen production, positioning it as a competitive candidate among state-of-the-art materials. Furthermore, this research aligns with the United Nations Sustainable Development Goal (SDG) 7, contributing to the advancement of high-performance electrode materials for next-generation electrochemical applications.
Two-step electrodeposition of NiMo@Ni nanostructures as an effective electrocatalyst for hydrogen evolution in an alkaline medium.
Hosseini Salehi R, Alireza Hosseini S, Alishahi M … +2 more , Esmati R, Ghorbanzadeh S
Dalton Trans · 2026 Jun · PMID 42212369 · Publisher ↗
Earth-abundant metallic materials offer a promising alternative to noble metal-based electrocatalysts for hydrogen production with NiMo alloys are emerging as strong candidates. This study investigates a two-step electro...
Earth-abundant metallic materials offer a promising alternative to noble metal-based electrocatalysts for hydrogen production with NiMo alloys are emerging as strong candidates. This study investigates a two-step electrodeposition of NiMo@Ni nanostructures onto nickel foam (NF) using sulfate-based alkaline bath. The morphology, microstructure, and composition of the electrocatalysts were systematically characterized using a field emission scanning electron microscope (FE-SEM), a confocal laser scanning microscope (CLSM), and an energy dispersive X-ray spectrometer (EDS). Results showed the hierarchical micro/nanostructure and alloying increased the electrochemically active surface area, enhanced intrinsic electrocatalytic activity, and improved surface wettability, resulting in outstanding electrocatalytic performance. Under optimized conditions, overpotentials of 100 mV and 245 mV are required to achieve current densities of 10 and 100 mA cm, respectively, along with a Tafel slope of 50 mV dec. Furthermore, the potential showed minimal variation during the stability test, confirming the excellent electrocatalytic stability of the synthesized electrode. This study presents a rational and cost-effective approach for synthesizing high-performance HER electrocatalysts based on NiMo micro/nanostructure.
LDH-mediated interfacial redox formation of δ-MnO phyllomanganate from KMnO: mechanistic insights and subsequent fluorination pathways.
Rouag A, Hennequart S, Porhiel R … +5 more , Grenèche JM, Lemoine K, Guérin K, Delbègue D, Leroux F
Dalton Trans · 2026 Jun · PMID 42212345 · Publisher ↗
Thanks to their versatile chemical composition, layered double hydroxides (LDHs) containing only 3d ions as intralamellar cations (Co, Cu, and Fe), when brought into contact with a potassium permanganate solution, lead t...
Thanks to their versatile chemical composition, layered double hydroxides (LDHs) containing only 3d ions as intralamellar cations (Co, Cu, and Fe), when brought into contact with a potassium permanganate solution, lead to the formation of δ-MnO phyllomanganate, concomitant with the decomposition of the LDH matrix. This green chemistry route is explained by the oxidation of Co cations, resulting in the reduction of the permanganate anion MnO and, consequently, the breakdown of the LDH structure due to excess charge. Thermodynamically favored in alkaline solution, the reaction can be considered as a transformation initiated at the interface and assisted by a redox reaction. The use of cobalt nitrate instead of LDH-Co leads to the formation of another manganese oxide polymorph: λ-MnO, which is non-lamellar but exhibits a three-dimensional spinel structure. The fluorination reaction reveals the role of Co cations: they remain in the same oxidation state after treatment at 350 °C under F, while they are completely oxidized to Co after the LDH template comes into contact with the KMnO solution. The materials are characterized at each step of the reaction, including contact and subsequent fluorination reactions by a combination of solid-state techniques, notably Raman and Fe Mössbauer spectroscopies and XRD pattern refinement. Furthermore, gas-solid fluorination proves to be a sensitive redox and structural probe, highlighting the oxidation state of cobalt and the presence of preformed Mn(IV) species, and also suggesting that the phyllomanganate formation mechanism is a reaction at the LDH interface. This novel approach paves the way for the preparation of intimately mixed redox materials for electrochemical applications.
Ligand-engineered co-growth of MOF-74/Ni(OH) on nickel foam for enhanced oxygen evolution electrocatalysis.
Xu Z, Wang W, Sun W … +2 more , Lou Y, Chen J
Dalton Trans · 2026 Jun · PMID 42212344 · Publisher ↗
The oxygen evolution reaction (OER) is the rate-determining step in water electrolysis, and the development of high-performance Earth-abundant electrocatalysts remains challenging. Here, we report a novel GA-mediated lig...
The oxygen evolution reaction (OER) is the rate-determining step in water electrolysis, and the development of high-performance Earth-abundant electrocatalysts remains challenging. Here, we report a novel GA-mediated ligand-engineering strategy to direct the co-growth of MOF-74/Ni(OH) on nickel foam in a single hydrothermal step, synchronizing Ni dissolution, MOF-74 assembly and Ni(OH) growth, thereby mitigating some limitations associated with conventional post-loading methods. The optimized GA ratio ( = 0.3) yields a hierarchical heterostructure with preserved MOF-74 crystallinity, abundant active sites and modulated electronic structure. MOF-74-GA/NF exhibits excellent OER performance (206 mV at 10 mA cm, 35.4 mV dec) and 350 h stability, undergoing electrochemical reconstruction into NiOOH/FeOOH species after the OER, which are likely associated with the catalytically active phase. This generalizable strategy provides new mechanistic insights for designing MOF-derived OER electrocatalysts.
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