Inorganics

2 pages, 747 KB

Open AccessCorrection

Correction: Blanco et al. Dual-Promoted Trimetallic CoMo-Ni/Al₂O₃-K₂O Catalysts: Impact of K₂O Doping on Guaiacol Hydrodeoxygenation Selectivity. Inorganics 2026, 14, 45

by Kenian L. Arévalo Blanco, Wilder S. Campo Baca and Esneyder Puello Polo

Inorganics 2026, 14(3), 78; https://doi.org/10.3390/inorganics14030078 - 9 Mar 2026

Abstract

In the original publication [...] Full article

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13 pages, 3782 KB

Open AccessArticle

A Self-Powered, High-Performance Photodetector Based on a g-C₃N₄/Textured Si n-n Heterojunction

by Xiwei Zhang, Junshuai Li, Jiale Sang, Jiabao Luo, Jiayi Shi, Huijuan Geng and Zhenjie Tang

Inorganics 2026, 14(3), 77; https://doi.org/10.3390/inorganics14030077 - 6 Mar 2026

Abstract

g-C₃N₄ has emerged as a promising metal-free semiconductor for optoelectronic applications due to its suitable bandgap, excellent stability, and low cost. However, enhancing its photoresponse efficiency in practical devices remains a challenge. In this work, a high-performance self-powered photodetector was [...] Read more.

g-C₃N₄ has emerged as a promising metal-free semiconductor for optoelectronic applications due to its suitable bandgap, excellent stability, and low cost. However, enhancing its photoresponse efficiency in practical devices remains a challenge. In this work, a high-performance self-powered photodetector was developed using a g-C₃N₄/textured Si n-n heterojunction fabricated via a simple solution process. The device exhibits excellent diode characteristics with a rectification ratio of ~4.9 × 10² and an ideality factor of 1.41. It achieves broadband detection from 405 to 980 nm, a high responsivity of 3.2 A/W, a specific detectivity of 1.9 × 10¹⁴ Jones, and fast response speeds of 44/36 ms at 650 nm under zero bias. Significantly, the textured Si-based device shows approximately tenfold higher performance than its planar Si counterpart, owing to enhanced light absorption from the textured surface. The combination of excellent photoresponse and simple fabrication makes the g-C₃N₄/textured Si n-n heterojunction a promising candidate for low-cost, high-performance optoelectronic applications. Full article

(This article belongs to the Section Inorganic Materials)

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13 pages, 3033 KB

Open AccessArticle

Synergistic Enhancement of Structural and Thermal Properties in Samaria-Doped Zirconia (ZrO₂-Sm₂O₃)

by Cristina Florentina Ciobota, Florentina-Gabriela Ioniță, Năstase-Dan Ciobota, Dumitru-Valentin Drăguț, Miruna-Adriana Ioța, Ioan-Albert Tudor, Ștefania Caramarin, Bogdan Florea and Dragos-Florin Marcu

Inorganics 2026, 14(3), 76; https://doi.org/10.3390/inorganics14030076 - 6 Mar 2026

Abstract

The study investigates the structural and thermal properties of zirconia ceramics doped with Sm₂O₃. The powders were prepared via a mild hydrothermal synthesis route at a temperature of 200 °C, for 2 h with a pressure of 60–100 atm, [...] Read more.

The study investigates the structural and thermal properties of zirconia ceramics doped with Sm₂O₃. The powders were prepared via a mild hydrothermal synthesis route at a temperature of 200 °C, for 2 h with a pressure of 60–100 atm, starting from ZrO₂-Sm₂O₃ compositions. Structural and physicochemical characterization was performed using XRD, SEM-EDAX, BET and FT-IR analyses after synthesis and subsequent heat treatments up to 1500 °C. The results indicate good thermal stability of the materials, while a single cubic phase is achieved after calcination at 1500 °C. The ceramics show low thermal conductivity (0.41 W·m⁻¹·K⁻¹), reduced heat capacity (0.26 J·g⁻¹·K⁻¹), and low thermal diffusivity (0.34 mm²·s⁻¹), with all measured parameters lower than those commonly reported for conventional rare-earth-stabilized zirconia. Full article

(This article belongs to the Section Inorganic Materials)

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6 pages, 194 KB

Open AccessEditorial

Metal Complexes Containing Bioactive Ligands: Structure and Biological Evaluation

by Dušan Dimić

Inorganics 2026, 14(3), 75; https://doi.org/10.3390/inorganics14030075 - 5 Mar 2026

Abstract

Currently, the development of medicinal chemistry depends on naturally occurring scaffolds, as nearly 50% of FDA-approved compounds are related to compounds already present in nature [...] Full article

(This article belongs to the Special Issue Metal Complexes Containing Bioactive Ligands: Structure and Biological Evaluation)

14 pages, 3370 KB

Open AccessArticle

Synthesis and Structural Characterization of Potentially Topologically Non-Trivial Zintl Phases ACaBi (A = K, Rb, Cs)

by Alexander Selverian and Svilen Bobev

Inorganics 2026, 14(3), 74; https://doi.org/10.3390/inorganics14030074 - 5 Mar 2026

Abstract

For the first time, the ternary Zintl phases RbCaBi and CsCaBi have been synthesized and structurally characterized via single-crystal X-ray diffraction methods. These two compounds, alongside KCaBi, are confirmed to crystallize in a tetragonal crystal system with the space group P4/nmm [...] Read more.

For the first time, the ternary Zintl phases RbCaBi and CsCaBi have been synthesized and structurally characterized via single-crystal X-ray diffraction methods. These two compounds, alongside KCaBi, are confirmed to crystallize in a tetragonal crystal system with the space group P4/nmm (no. 129) with two formula units per cell. The lattice constants increase monotonically from a = 5.3812(10) Å and c = 8.410(3) Å for KCaBi, to a = 5.4139(7) Å and c = 8.6180(17) Å for RbCaBi, and to a = 5.4709(11) Å and c = 8.914(3) Å for CsCaBi. The crystal structure can be visualized as an array of square prisms formed of Bi atoms, which are centered by alkali metal atoms, while the Ca atoms fill tetrahedra formed of Bi atoms. There are no direct Bi–Bi interactions in the crystal structure; therefore, with full cation ordering present, the chemical bonding in the ACaBi compounds can be rationalized within the fully ionic approximation as A⁺Ca²⁺Bi³⁻ (A = K, Rb, Cs). This suggests the opening of an (narrow) energy gap between the valence and conduction bands, i.e., semiconducting behavior. Full article

(This article belongs to the Special Issue Feature Papers in Inorganic Solid-State Chemistry 2026)

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13 pages, 1524 KB

Open AccessArticle

First-Principles Study of Two-Dimensional A₂SnI₄ (A = MA, DMA, GUA) Ruddlesden–Popper Perovskites

by Baseerat Bibi, Zahra Karimi, Syed Hatim Shah, Fan Shen, Najm Us Sama, Linlin Guan, Jingjing Zhang, Jiale Lin and Zhu Liu

Inorganics 2026, 14(3), 73; https://doi.org/10.3390/inorganics14030073 - 28 Feb 2026

Abstract

Two-dimensional (2D) Ruddlesden–Popper (RP) tin halide perovskites have attracted considerable attention as lead-free photovoltaic absorbers; however, the impact of organic A-site cations on their structure and pressure-dependent optoelectronic behavior remains underexplored. In this study, density functional theory (DFT) is used to investigate the [...] Read more.

Two-dimensional (2D) Ruddlesden–Popper (RP) tin halide perovskites have attracted considerable attention as lead-free photovoltaic absorbers; however, the impact of organic A-site cations on their structure and pressure-dependent optoelectronic behavior remains underexplored. In this study, density functional theory (DFT) is used to investigate the structural, electronic, and optical properties of A₂SnI₄ (A = GUA⁺, DMA⁺, MA⁺) under ambient conditions and under hydrostatic pressure. All three compounds adopt layered frameworks in which the organic cations occupy the interlayer region, while SnI₆ octahedra form the inorganic slabs. Band-gap calculations are performed using HSE06 for ambient pressure, known for its accuracy in electronic structure predictions, and PBE for pressure simulations, due to its computational efficiency in large-scale systems. At ambient pressure, Hybrid-functional (HSE06) calculations indicate that all three materials are direct-gap semiconductors, with band gaps of 2.25 eV for MA2SnI₄, 2.98 eV for DMA2SnI4, and 2.85 eV for GUA2SnI4. Under hydrostatic compression, DMA₂SnI₄ shows comparatively modest band-gap variation and saturates near 1.7 eV. In contrast, GUA₂SnI₄ and MA₂SnI₄ exhibit pronounced band-gap narrowing, including a pressure-induced direct-to-indirect transition near 2 GPa, with band gaps decreasing to 0.59 eV (GUA₂SnI₄) and 0.34 eV (MA₂SnI₄) at elevated pressures. Overall, these findings highlight that A-site chemistry, combined with hydrostatic pressure, enables tuning the electronic and optical responses in tin-based 2D RP perovskites, demonstrating their promise as tunable, lead-free photovoltaic absorbers. Full article

(This article belongs to the Section Inorganic Materials)

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28 pages, 2040 KB

Open AccessReview

Research Progress on Cathode Materials for Sodium-Ion Batteries

by Ran Li, Haiyang Pan, Mingze Zhang and Yanling Lv

Inorganics 2026, 14(3), 72; https://doi.org/10.3390/inorganics14030072 - 27 Feb 2026

Abstract

Sodium-ion batteries (SIBs) are regarded as an important complementary technology to lithium-ion batteries due to their abundant resources and low cost, demonstrating broad application prospects, especially in large-scale energy storage. As a core component of SIBs, the cathode material directly determines key performance [...] Read more.

Sodium-ion batteries (SIBs) are regarded as an important complementary technology to lithium-ion batteries due to their abundant resources and low cost, demonstrating broad application prospects, especially in large-scale energy storage. As a core component of SIBs, the cathode material directly determines key performance indicators such as energy density, cycling stability, and rate capability. Currently, the main cathode material systems under extensive research include transition metal oxides, polyanionic compounds, and Prussian blue analogues (PBAs), each exhibiting distinct characteristics in terms of crystal structure and electrochemical performance. Transition metal oxides have attracted significant research interest owing to their high specific capacity, while polyanionic compounds are known for their excellent structural stability and operating voltage. PBAs, on the other hand, have gained considerable attention due to their open framework structure and simple synthesis process. In recent years, modification strategies such as nanostructure engineering, surface coating, and elemental doping have significantly enhanced the electrochemical performance of these cathode materials. Future research should focus on addressing critical scientific challenges, including low intrinsic electronic conductivity and poor interfacial stability, while also exploring novel composite cathode material systems to facilitate the practical application of sodium-ion batteries. Full article

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11 pages, 2042 KB

Open AccessArticle

Enhanced Secondary Electron Emission from Strontium Titanate Films via High-Temperature Annealing

by Weiqiang Li, Dan Wang, Wei Zhao, Xiangping Zhu, Yongning He and Guohe Zhang

Inorganics 2026, 14(3), 71; https://doi.org/10.3390/inorganics14030071 - 27 Feb 2026

Abstract

The versatile surface reconstruction mechanisms, tunable surface properties, and exceptional electron emission characteristics of SrTiO₃ films have garnered significant research interest. In this study, SrTiO₃ films were synthesized on n-Si(100) substrates via radio frequency magnetron sputtering. To evaluate the impact of [...] Read more.

The versatile surface reconstruction mechanisms, tunable surface properties, and exceptional electron emission characteristics of SrTiO₃ films have garnered significant research interest. In this study, SrTiO₃ films were synthesized on n-Si(100) substrates via radio frequency magnetron sputtering. To evaluate the impact of thermal annealing, the as-deposited films underwent post-deposition annealing in an oxygen ambient at 600 °C, 800 °C, and 1000 °C for a duration of 2 h each. The structural, chemical, and secondary electron emission (SEE) characteristics of the SrTiO₃ films were characterized as a function of their high thermal process. Post-deposition annealing induced a significant improvement in crystallinity, which directly correlated with a heightened SEE yield (SEY). Furthermore, composition analysis revealed a marked stoichiometric reconfiguration at the surface, with the Sr:Ti:O ratio evolving from 1:0.32:1.14 to 1:0.22:0.94, suggesting a move toward an Sr-O terminated surface. The Sr-O terminated surface inherent to these SrTiO₃ films promotes efficient electron escape due to its reduced work function. Following a 1000 °C annealing process, the peak SEY undergoes a significant shift from 2.11 to 2.76, representing a thermal optimization of the SEE performance by approximately 30.8%. High-temperature annealing enhances the SEE performance of SrTiO₃ films, validating their significant potential for electron multiplication applications. This study provides a scalable pathway for developing highly efficient SEE materials with optimized crystalline and surface properties. Full article

(This article belongs to the Special Issue Recent Progress in Perovskites)

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17 pages, 3178 KB

Open AccessArticle

Triple Modification by g-C₃N₄ Induces Enhanced Photocatalytic Performance of Bi₂MoO₆ for Efficient Visible-Light Water Treatment

by Qiuqin Wang, Jinlei Wang, Chao Feng, Jinlong Ge, Dazhang Wang, Dong Wang and Cuishuan Xu

Inorganics 2026, 14(3), 70; https://doi.org/10.3390/inorganics14030070 - 27 Feb 2026

Abstract

The degradation of aquatic pollutants using eco-friendly and non-toxic photocatalytic materials is a pivotal strategy for water pollution remediation. However, single-component photocatalysts typically suffer from low photocatalytic efficiency due to limited light absorption spectra and rapid recombination of photogenerated charge carriers. This study [...] Read more.

The degradation of aquatic pollutants using eco-friendly and non-toxic photocatalytic materials is a pivotal strategy for water pollution remediation. However, single-component photocatalysts typically suffer from low photocatalytic efficiency due to limited light absorption spectra and rapid recombination of photogenerated charge carriers. This study reports a novel and facile one-step mixing strategy for realizing triple synergistic modifications: heterostructured composite construction, specific surface area regulation, and efficient photogenerated electron–hole pair separation of Bi₂MoO₆ (BMO) via composite enhancement with low-cost and intrinsically green g-C₃N₄ (CN), which avoids the high cost, complex processes, and potential pollution risks of precious metal/heavy metal modification for BMO. Under visible-light irradiation, the BMO composite modified with 15 wt% CN achieved a dye removal rate of 85.1% within 60 min, representing a 1.6-fold enhancement in photocatalytic performance compared with that achieved using pristine BMO. We further clarify the unique photocatalytic mechanism of the CN/BMO heterojunction via radical quenching experiments, identifying photogenerated holes (h⁺) and superoxide radicals (·O₂⁻) as the dominant active species for Rhodamine B (RhB) degradation. This study systematically demonstrates a scalable photocatalyst preparation method that integrates controllable specific surface area, rational heterostructure construction, and simple operation, and we provide an in-depth investigation into the photocatalytic reaction process and underlying synergistic enhancement mechanism. The proposed non-metallic modification route provides a new theoretical and experimental basis for the design of high-efficiency BMO-based photocatalysts, and the as-prepared CN/BMO composite holds great potential for practical application in sustainable solar-driven water purification. Full article

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17 pages, 3868 KB

Open AccessArticle

One-Pot Synthesis of NiO-Doped Fe₃O₄/MgAl₂O₄ Nanocomposites for Effective Removal of Pharmaceutical Pollutants from Water

by Soad S. Alzahrani

Inorganics 2026, 14(3), 69; https://doi.org/10.3390/inorganics14030069 - 27 Feb 2026

Abstract

The presence of antibiotics in aquatic systems presents significant ecological and health risks. Herein, Fe₃O₄/MgAl₂O₄ (MgFeAl-1), 2.5%NiO@Fe₃O₄/MgAl₂O₄ (MgFeAl-2), 5%NiO@Fe₃O₄/MgAl₂O₄ (MgFeAl-3), and 10%NiO@Fe [...] Read more.

The presence of antibiotics in aquatic systems presents significant ecological and health risks. Herein, Fe₃O₄/MgAl₂O₄ (MgFeAl-1), 2.5%NiO@Fe₃O₄/MgAl₂O₄ (MgFeAl-2), 5%NiO@Fe₃O₄/MgAl₂O₄ (MgFeAl-3), and 10%NiO@Fe₃O₄/MgAl₂O₄ (MgFeAl-4) were synthesized, selecting glucose as a capping agent, and 600 °C as calcination temperature. The TEM, EDX, BET, XRD, and FTIR techniques were employed to characterize the preidentified sorbents. The average size of MgFeAl-1, MgFeAl-2, MgFeAl-3, and MgFeAl-4 was about 6.53, 5.0, 7.61, and 10.52 nm, respectively, and they exhibited surface areas of 114.15, 154.02, 153.36, and 128.54 m² g⁻¹, respectively. The sorbents were tested for the removal of ciprofloxacin (CFCN) from aqueous solutions using the batch protocol. The MgFeAl-2 exhibited the highest performance, achieving an adsorption capacity of 99.45 mg g⁻¹, and the sorption equilibrium was reached within 60 min. The pseudo-second-order model best described CFCN sorption onto MgFeAl-2, and liquid-film diffusion influenced CFCN sorption. The CFCN adsorption onto MgFeAl-2 was well represented by the Langmuir isotherm model (R² = 0.93), indicating a monolayer adsorption. The thermodynamic results indicated a spontaneous, endothermic sorption process. A four-cycle MgFeAl-2 reusability study showed an average efficiency of 90%. Notably, MgFeAl-2 was effective in treating natural-water matrices, with a slight reduction in seawater due to ionic interference. The findings highlight the potential of MgFeAl-2 as an affordable and reusable adsorbent for removing antibiotics from contaminated water. Full article

(This article belongs to the Section Inorganic Materials)

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26 pages, 4495 KB

Open AccessArticle

Understanding Electrochemical Interactions of Iodide and Chloride Species in LiCl-KCl Molten Salt

by Nikunja Shrestha, Kavindan Balakrishnan, Vivek Utgikar and Krishnan S. Raja

Inorganics 2026, 14(3), 68; https://doi.org/10.3390/inorganics14030068 - 25 Feb 2026

Abstract

Iodine is produced through nuclear fission reactions in nuclear reactors. Understanding the electrochemistry of iodine species is crucial for reprocessing used nuclear fuels via molten salt electrolysis, deploying next-generation molten salt nuclear reactors, and developing iodide-based molten salt batteries. Cyclic voltammetry (CV) was [...] Read more.

Iodine is produced through nuclear fission reactions in nuclear reactors. Understanding the electrochemistry of iodine species is crucial for reprocessing used nuclear fuels via molten salt electrolysis, deploying next-generation molten salt nuclear reactors, and developing iodide-based molten salt batteries. Cyclic voltammetry (CV) was conducted in LiCl-KCl eutectic molten salts at 450, 500, and 550 °C, both with and without the addition of KI as an iodine source. Based on the CV results, the diffusivities of iodide and triiodide species, as well as the activation energies for diffusion, were determined. Additionally, formal potentials of various iodide and interhalogen complexes were derived, allowing for the calculation of the stability constants for halide exchange reactions. The diffusivities of iodide ranged from 0.14 to 6.9 × 10⁻⁷ cm²/s, while those of triiodide were roughly an order of magnitude lower. Increasing the KI content from 1 wt% to 5 wt% reduced the diffusion coefficient, whereas increasing temperature, as expected, boosted diffusivity. The activation energy for iodide diffusion in LiCl-KCl increased from 46.5 kJ/mol to 112 kJ/mol as KI concentration rose from 1 wt% to 5 wt%. Full article

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15 pages, 5620 KB

Open AccessArticle

Study on Secondary Electron Emission from Silver Oxide Coatings and the Effect of Surface Oxidation on Changes in Secondary Electron Emission of Silver

by Yuqing Gu, Wei Fu, Juannan Li and Shiyu Gong

Inorganics 2026, 14(3), 67; https://doi.org/10.3390/inorganics14030067 - 25 Feb 2026

Abstract

Metal surfaces exposed to air environments invariably undergo various surface modifications, altering their secondary electron emission coefficient (SEEC). However, the physical mechanisms underlying these surface modifications differ across metals, yielding distinct effects on SEEC. To investigate the SEEC properties of silver oxide and [...] Read more.

Metal surfaces exposed to air environments invariably undergo various surface modifications, altering their secondary electron emission coefficient (SEEC). However, the physical mechanisms underlying these surface modifications differ across metals, yielding distinct effects on SEEC. To investigate the SEEC properties of silver oxide and the impact of surface oxidation on the SEEC of silver, silver oxide and silver coatings were prepared by sputtering, followed by studies of their physical properties and SEEC. Results indicate that under conditions where preparation, storage, and testing were kept as consistent as possible, the SEEC of oxidized silver surfaces is not much different from that of silver-coated surfaces. The SEEC maximum values of silver oxide and silver coatings are 1.7 and 1.6, and the values decreased to 1.5 and 1.4 after ion-sputtering treatment. To validate the impact of surface oxidation on the SEEC of silver, various surface states were achieved on silver substrates. Elemental analysis revealed that vacuum heating effectively removes contaminants from silver coating surfaces, resulting in a significant reduction in SEEC values. Ion sputtering removed contaminants, etched the oxidation layer, and modified the morphology of the silver surface effectively. After 5 min of ion sputtering, the SEEC maximum of the original silver sample decreased from 2.6 to 1.73, and after 15 min of ion sputtering, it further decreased to 1.7. This result indicates that surface oxidation contributes minimally to the SEEC variation of silver exposed to air. The findings revealed in this work hold engineering significance for understanding alterations in the SEEC properties of silver surfaces under different surface conditions. Full article

(This article belongs to the Special Issue Electron Emission and Related Phenomena from Inorganic Compound Surfaces)

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19 pages, 4443 KB

Open AccessReview

Mechanistic Claims in Oxygen Evolution Electrocatalysis for Water Splitting: Evidence, Ambiguity, and Best-Practice Interpretation

by Angel A. J. Torriero

Inorganics 2026, 14(3), 66; https://doi.org/10.3390/inorganics14030066 - 25 Feb 2026

Abstract

Mechanistic interpretation in transition metal electrocatalysts for water splitting, particularly for the oxygen evolution reaction (OER), remains challenging despite major advances in operando spectroscopy, isotope labelling, and electrochemical analysis. Mechanistic claims are frequently supported by incomplete or overinterpreted evidence, leading to persistent ambiguity [...] Read more.

Mechanistic interpretation in transition metal electrocatalysts for water splitting, particularly for the oxygen evolution reaction (OER), remains challenging despite major advances in operando spectroscopy, isotope labelling, and electrochemical analysis. Mechanistic claims are frequently supported by incomplete or overinterpreted evidence, leading to persistent ambiguity in active site identification, rate-limiting step assignment, and pathway discrimination. This review adopts a claim-centric framework that organises experimental approaches around the specific mechanistic assertions they aim to support, rather than cataloguing catalyst classes or performance metrics, and formalises this perspective as a decision-guided framework for mechanistic validation. We critically assess how techniques such as isotope labelling, operando spectroscopy, and electrokinetic analysis can and cannot substantiate claims related to adsorbate-versus lattice-oxygen-mediated pathways, reconstruction-defined active phases, and dynamic surface behaviour. Application of this framework to common mechanistic archetypes in OER electrocatalysis shows that surface reconstruction and condition-dependent pathway switching limit static mechanistic assignments, and that single-technique interpretations are rarely definitive. By clarifying the minimum evidentiary standards required for common mechanistic claims, this review aims to promote more rigorous, transparent, and falsifiable mechanistic analysis, supporting durable progress beyond descriptor-driven correlations and isolated performance benchmarks. Full article

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11 pages, 2474 KB

Open AccessArticle

Mn²⁺ Pre-Embedded V₂CTx MXene as a Negative Electrode for Lithium-Ion Batteries

by Hao Yu, Mingguo Xu, Zhaoliang Yu, Jiaming Li, Ming Lu, Shichong Xu and Haibo Li

Inorganics 2026, 14(2), 65; https://doi.org/10.3390/inorganics14020065 - 22 Feb 2026

Abstract

V₂CT_x MXene is a promising anode material for lithium-ion batteries due to its high electrical conductivity and abundant active sites. However, the spatial environment within its layers restricts the function of its energy storage electrode. Herein, V₂CT_x [...] Read more.

V₂CT_x MXene is a promising anode material for lithium-ion batteries due to its high electrical conductivity and abundant active sites. However, the spatial environment within its layers restricts the function of its energy storage electrode. Herein, V₂CT_x MXene was synthesized via an NH₄F–HCl-assisted hydrothermal etching method, followed by electrochemical pre-intercalation of Mn²⁺ using a three-electrode system. Structural characterizations confirm that Mn²⁺ pre-intercalation effectively modulates the interlayer environment, reduces surface F terminations, and maintains a stable layered structure. Electrochemical measurements demonstrate that the Mn²⁺-intercalated V₂CT_x MXene delivers an enhanced reversible capacity of 313.6 mAh·g⁻¹ after 200 cycles, outperforming pristine V₂CT_x MXene. The improved rate capability and reduced charge transfer resistance indicate accelerated ion/electron transport kinetics. This study provides an effective interlayer engineering strategy for improving MXene-based lithium-ion storage performance. Full article

(This article belongs to the Special Issue Innovative Electrode Chemistry for Next-Generation Electrochemical Energy Storage)

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26 pages, 466 KB

Open AccessArticle

Enhancing the Photophysical Properties of NHC-Based Iron Sensitizers for Dye-Sensitized Solar Cells: A Computational Study

by Wissam Helal, Ayat M. Siedat, Ahmad Musleh Alrub, Saleh Atiewi, Ahmad S. Barham, Mohammad I. Alkhatab and Basma Elzein

Inorganics 2026, 14(2), 64; https://doi.org/10.3390/inorganics14020064 - 20 Feb 2026

Abstract

Iron(II) complexes bearing N-heterocyclic carbene (NHC) ligands have emerged as promising earth-abundant dye sensitizers for applications in dye-sensitized solar cells (DSSCs). In this work, we present a computational study of a set of 42 Fe–NHC dyes derived from seven ligand frameworks, systematically functionalized [...] Read more.

Iron(II) complexes bearing N-heterocyclic carbene (NHC) ligands have emerged as promising earth-abundant dye sensitizers for applications in dye-sensitized solar cells (DSSCs). In this work, we present a computational study of a set of 42 Fe–NHC dyes derived from seven ligand frameworks, systematically functionalized with donor, acceptor, and donor–acceptor groups to tune or enhance their photophysical properties. The calculated geometries reveal that substitution modulates Fe–N bond lengths and ligand dihedral angles only slightly, preserving the structural integrity of the complexes. TD-DFT calculations show clear and predictable electronic trends: donor groups raise the HOMO, acceptor groups lower the LUMO, and the combined push–pull configuration produces the most pronounced HOMO–LUMO gap narrowing and largest redshifts in MLCT transitions. Key DSSC performance descriptors, including electron-injection and dye-regeneration free energies, light-harvesting efficiency, excited-state lifetimes, and hole-transport reorganization energies, collectively identify the double-acceptor and push–pull derivatives as the most promising candidates across multiple frameworks. Full article

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25 pages, 4075 KB

Open AccessArticle

Ligand Rigidity and π-Surface Modulate Biomolecular Interactions and Cytotoxicity in Ru(II) Polypyridyl Complexes

by Patrícia Alves de Matos, Marcos Eduardo Gomes do Carmo, André Luis Araújo Parussulo, Clara Maria Faria Silva, Ricardo Campos Lino, Henrique Eisi Toma, Marcelo Emílio Beletti, Robson José de Oliveira Júnior, Antônio Otávio de Toledo Patrocinio, Tiago Araújo Matias and Tayana Mazin Tsubone

Inorganics 2026, 14(2), 63; https://doi.org/10.3390/inorganics14020063 - 19 Feb 2026

Cited by 1

Abstract

The complexes cis-[Ru(dmbpy)₂Cl(bpy)](PF₆) (Rubpy) and cis-[Ru(dmbpy)₂Cl(bpe)](PF₆) (Rubpe) (dmbpy = 4,4′-Dimethyl-2,2′-dipyridyl, bpy= 4,4′-dipyridyl and bpe = 1,2-bis(4-pyridyl)ethane) were synthesized and spectroelectrochemically characterized. Both Ru(II) complexes exhibited absorption bands assigned to intraligand and metal-to-ligand charge [...] Read more.

The complexes cis-[Ru(dmbpy)₂Cl(bpy)](PF₆) (Rubpy) and cis-[Ru(dmbpy)₂Cl(bpe)](PF₆) (Rubpe) (dmbpy = 4,4′-Dimethyl-2,2′-dipyridyl, bpy= 4,4′-dipyridyl and bpe = 1,2-bis(4-pyridyl)ethane) were synthesized and spectroelectrochemically characterized. Both Ru(II) complexes exhibited absorption bands assigned to intraligand and metal-to-ligand charge transfer (MLCT) transitions, and their spectral stability in PBS buffer (pH 7.4) supports their suitability for biological studies involving biomolecules or living cells. Fluorescence quenching assays revealed strong interactions with bovine serum albumin (BSA), with binding constants (K_b) values were 2.89 × 10⁵ M⁻¹ for Rubpy and 1.97 × 10⁵ M⁻¹ for Rubpe, and a stoichiometry of one binding site per albumin molecule. DNA-binding studies demonstrated non-covalent interactions with ss-DNA, evidenced by a hyperchromic effect in the MLCT bands, suggesting a partial intercalation or groove-binding mechanism. Cellular uptake assays indicated moderate incorporation of both complexes in tumor cells, with uptake levels of 52% (Rubpy) and 47% (Rubpe) in HeLa cells, and 42% (Rubpy) and 32% (Rubpe) in MDA-MB-231 cells. Despite the similar uptake profiles, cytotoxicity assays showed that Rubpe is approximately 2.4 times more potent than Rubpy, with IC₅₀ values of 9 μM (HeLa) and 12 μM (MDA-MB-231), compared to 22 μM and 29 μM for Rubpy, respectively. These results highlight the relevance of these Ru(II) complexes as molecular platforms for exploring structure–activity relationships in anticancer agents. Full article

(This article belongs to the Special Issue Metal Complexes Containing Bioactive Ligands: Structure and Biological Evaluation)

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11 pages, 6428 KB

Open AccessArticle

Activation Energy and Kinetics of First Hydrogenation in Ti_48.8Fe_46.0Mn_5.2 Alloy Produced by Gas Atomization

by Seyedehfaranak Hosseinigourajoubi, Chris Schade and Jacques Huot

Inorganics 2026, 14(2), 62; https://doi.org/10.3390/inorganics14020062 - 17 Feb 2026

Abstract

The first hydrogenation behavior of the gas atomized Ti_48.8Fe_46.0Mn_5.2 alloy was systemically investigated. The as-received powder showed no hydrogen absorption due to the long air exposure before the hydrogenation tests. To overcome this, 5 passes of cold rolling [...] Read more.

The first hydrogenation behavior of the gas atomized Ti_48.8Fe_46.0Mn_5.2 alloy was systemically investigated. The as-received powder showed no hydrogen absorption due to the long air exposure before the hydrogenation tests. To overcome this, 5 passes of cold rolling were employed as an activation strategy. Cold rolling introduced cracks and defects that facilitated hydrogen diffusion, enabling the alloy to successfully absorb hydrogen. The influences of temperature, constant driving force, and hydrogen pressure on the first hydrogenation were evaluated. The results indicated that the first hydrogenation follows an Arrhenius behavior (

k = A e^{- \frac{E_{a}}{R T}}

), and average activation energy was calculated as 71 kJ/mol H₂. The pre-exponential factor (A) was found to be pressure-dependent, following the equation A = A₀ (P/P₀)^1.8, where A₀ = 2.6 × 10⁶ s⁻¹. Full article

(This article belongs to the Section Inorganic Materials)

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4 pages, 152 KB

Open AccessEditorial

Biological Activity of Metal Complexes

by Vinay K. Sharma

Inorganics 2026, 14(2), 61; https://doi.org/10.3390/inorganics14020061 - 17 Feb 2026

Abstract

Metal complexes play a fundamental role in biological systems and continue to attract sustained interest due to their remarkable potential in therapeutic, diagnostic, and biotechnological applications [...] Full article

(This article belongs to the Special Issue Biological Activity of Metal Complexes)

25 pages, 3543 KB

Open AccessArticle

B-Doped ZnO Nanoparticles: Defect Chemistry, Tensile Strain, and Tunable Optical Response

by Lütfi Arda, Merve Mine Seker Perez, Ersin Ozugurlu and Ilke Tascioglu

Inorganics 2026, 14(2), 60; https://doi.org/10.3390/inorganics14020060 - 16 Feb 2026

Abstract

ZnO and ZnO:5%B nanoparticles produced by sol–gel synthesis exhibit a single-phase wurtzite structure. X-ray diffraction (XRD) investigation reveals crystallite sizes in the range of

32.37 - 39.63

nm and microstrain values on the order of [...] Read more.

ZnO and ZnO:5%B nanoparticles produced by sol–gel synthesis exhibit a single-phase wurtzite structure. X-ray diffraction (XRD) investigation reveals crystallite sizes in the range of

32.37 - 39.63

nm and microstrain values on the order of

(1.98 - 8.03) \times 10^{- 4}

, despite the Uniform Stress Deformation Model (USDM) indicating the presence of considerable tensile stress. Significant band-tail states are introduced via boron doping, resulting in Urbach energies ranging from

110

to

193

meV and a narrowed optical band gap of

3.216

eV. With a refractive index range of

2.05 - 2.71

, the material exhibits tunable optical characteristics. Violet and blue emissions originating predominantly from zinc interstitials (Znᵢ) and zinc vacancies (V_Zn) dominate the photoluminescence spectra, while oxygen interstitial-related contributions remain relatively weak. A high spin density is confirmed by electron spin resonance measurements, which reveal a strong defect-related signal at

g \approx 2.294

. The formation of Znᵢ/V_Zn defect centers due to charge compensation and ionic size mismatch induced by B³⁺ substitution for Zn²⁺ significantly modifies the band-edge states and optical constants. These defect-engineered properties render the material promising for applications in ultraviolet (UV) photodetectors, transparent conducting oxides, and electron transport layers in organic photovoltaic devices. Full article

(This article belongs to the Special Issue Mixed Metal Oxides, 3rd Edition)

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