Inorganics

10 pages, 1482 KB

Open AccessReview

Functional Diversity of the Oxidative Stress Sensor and Transcription Factor SoxR: Mechanism of [2Fe-2S] Cluster Oxidation

by Kazuo Kobayashi

Inorganics 2025, 13(9), 307; https://doi.org/10.3390/inorganics13090307 - 12 Sep 2025

Abstract

The [2Fe-2S] transcription activator SoxR, a member of the MerR family, functions as a bacterial stress response sensor. The response governed by SoxR is activated by the oxidation of the [2Fe-2S]. In this review, I describe functional differences between Escherichia coli SoxR (EcSoxR) [...] Read more.

The [2Fe-2S] transcription activator SoxR, a member of the MerR family, functions as a bacterial stress response sensor. The response governed by SoxR is activated by the oxidation of the [2Fe-2S]. In this review, I describe functional differences between Escherichia coli SoxR (EcSoxR) and Pseudomonas aeruginosa SoxR (PaSoxR). Pulse radiolysis demonstrated that the reduced form of EcSoxR reacts directly with O₂⁻ with a second-order rate constant of 5.0 × 10⁸ M⁻¹s⁻¹. PaSoxR was found to undergo a similar reaction, although with a 10-fold smaller rate constant (4.0 × 10⁷ M⁻¹s⁻¹). This difference in rate constants may reflect distinct regulatory features of EcSoxR and PaSoxR. Specifically, mutagenesis studies have shown that Lysine residues―which are located close to [2Fe-2S] clusters, in EcSoxR, but are not conserved in PaSoxR―are essential for EcSoxR activation. In contrast, both EcSoxR and PaSoxR were found to react with various redox-active compounds (RACs), including viologens, phenazines, and quinones, with no apparent differences in the kinetic behavior or specificity of the two proteins. Importantly, both O₂⁻ and RACs oxidize SoxR with the same rate constants. soxR regulon may be induced through multiple pathways, and the activation may depend on the cellular concentration of O₂⁻ and RACs. Full article

(This article belongs to the Section Bioinorganic Chemistry)

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24 pages, 19167 KB

Open AccessArticle

Mixed-Valence Pentadecavanadate with Ca²⁺-ATPase Inhibition Potential and Anti-Breast Cancer Activity

by Bianca R. Brito, Heloísa de S. Camilo, Anderson F. da Cruz, Ronny R. Ribeiro, Eduardo L. de Sá, Carolina Camargo de Oliveira, Gil Fraqueza, Giseli Klassen, Manuel Aureliano and Giovana G. Nunes

Inorganics 2025, 13(9), 306; https://doi.org/10.3390/inorganics13090306 - 12 Sep 2025

Abstract

Polyoxovanadates are a subclass of polyoxometalates (POMs) known to interact with proteins and to present anticancer, antimicrobial, and antiviral activities. Herein, we aimed to pursue the study of the breast anticancer activity of a mixed-valence polyoxovanadate, [Cl@V^V₇V^IV₈O [...] Read more.

Polyoxovanadates are a subclass of polyoxometalates (POMs) known to interact with proteins and to present anticancer, antimicrobial, and antiviral activities. Herein, we aimed to pursue the study of the breast anticancer activity of a mixed-valence polyoxovanadate, [Cl@V^V₇V^IV₈O₃₆]⁶⁻ (V₁₅) against MCF-7 and MDA-MB-231 cancer cell lines and to analyze its Ca²⁺-ATPase inhibition potential. ⁵¹V NMR and UV-Vis/NIR studies of V₁₅ indicated its stability in HEPES and RPMI media. For the Ca²⁺-ATPase activity, V₁₅ showed an IC₅₀ value of 14.2 μM and a mixed type of inhibition. The electrostatic potential map of V₁₅ and other POMs were correlated with the enzyme activity inhibition. V₁₅ also exhibited cytotoxicity against MDA-MB-231 (IC₅₀ = 17.2 μM) and MCF-7 (IC₅₀ = 15.1 μM) breast cancer cell lines. Using V₁₅ concentrations equivalent to half and 1/4 of the IC_50, it was observed that MDA-MB-231 cell migration was reduced by 90 and 70%, after 24 h, respectively. Moreover, V₁₅ caused morphological changes from fusiform to an epithelial-like (amoeboid) shape. Finally, V₁₅ induced the increase in RIPK1, MLKL, and RIPK3 gene expression, up to 3, 10, and 15-fold, respectively, pointing out that the mechanisms of cell death in the triple-negative breast cancer cell line may occur by necroptosis. Full article

(This article belongs to the Special Issue New Trends in Vanadium Chemistry, Biochemistry, and Medicinal Chemistry, 2nd Edition)

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35 pages, 5920 KB

Open AccessReview

Advances in the Mechanism and Application of Nanoparticles in Concrete Property Modification

by Huaming Li, Yuhan Zhao, Yan Zhao, Min Zhang, Yanan Niu and Xi Cao

Inorganics 2025, 13(9), 305; https://doi.org/10.3390/inorganics13090305 - 12 Sep 2025

Abstract

Nanoparticles leverage their unique nanoscale effects to optimize concrete performance through synergistic multi-mechanism interactions. Core mechanisms include micro-filling effects (graded pore filling, optimized pore structure), nucleation (promoting crystallization of hydration products, refining microstructure), chemical reactivity (e.g., pozzolanic reaction of nano-SiO₂, enhancing [...] Read more.

Nanoparticles leverage their unique nanoscale effects to optimize concrete performance through synergistic multi-mechanism interactions. Core mechanisms include micro-filling effects (graded pore filling, optimized pore structure), nucleation (promoting crystallization of hydration products, refining microstructure), chemical reactivity (e.g., pozzolanic reaction of nano-SiO₂, enhancing interfacial transition zones), and interfacial strengthening (improving ITZ structure and stress transfer). Common nanomaterials (e.g., nano-SiO₂, Al₂O₃, carbon nanotubes) significantly enhance concrete’s mechanical properties, durability, and functionalities (e.g., self-sensing, electromagnetic shielding). However, nano-modified concrete still faces challenges such as poor dispersion, high cost, and environmental/health risks. Future efforts should focus on multi-scale mechanism research, green low-cost synthesis processes, and intelligent composite systems development to advance the engineering applications pf nano-modified concrete. Full article

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23 pages, 3154 KB

Open AccessArticle

Lanthanide Tris-Acetylacetonate Complexes for Luminescent Thermometry: From Isolated Compounds to Hybrid Prussian Blue Core–Silica Shell Nanoparticles

by Aurore Larquey, Gautier Félix, Saad Sene, Joulia Larionova and Yannick Guari

Inorganics 2025, 13(9), 304; https://doi.org/10.3390/inorganics13090304 - 11 Sep 2025

Abstract

Precise remote temperature sensing at the micro- and nanoscale is a growing necessity in modern science and technology. We report a series of luminescent tris-acetylacetonate lanthanide complexes, Ln(acac)₃(H₂O)₂ (Ln = Eu (1Eu), Tb (1Tb), [...] Read more.

Precise remote temperature sensing at the micro- and nanoscale is a growing necessity in modern science and technology. We report a series of luminescent tris-acetylacetonate lanthanide complexes, Ln(acac)₃(H₂O)₂ (Ln = Eu (1Eu), Tb (1Tb), Yb (1Yb)); acac⁻ = acetylacetonate), operating as self-referenced thermometers in the 290–350 K range, both in the solid state and when embedded in hybrid nanoparticles. Among the investigated systems, the Eu³⁺ complex exhibits excellent lifetime-based thermometric performance, achieving a maximum relative sensitivity (S_rmax) of 2.9%·K⁻¹ at 340 K with a temperature uncertainty (δT) as low as 0.02 K and an average temperature uncertainty (

\bar{δ T}

) of 0.5 K, placing it among the most effective ratiometric lanthanide-based luminescent thermometers reported to date. The Yb³⁺ analog enables intensity-based thermometry in the near-infrared domain with a good sensitivity S_rmax = 0.5%·K⁻¹ at 293 K, δT = 0.5 K at 303 K, and

\bar{δ T}

= 1.6 K. These molecular thermometers were further incorporated into the shell of Prussian Blue@SiO₂ core–shell nanoparticles. Among the resulting hybrids, PB@SiO₂-acac/(1Tb/1Eu) (with a Tb/Eu ratio of 2/8) stood out by enabling ratiometric temperature sensing based on the Eu³⁺⁵D₀ → ⁷F₂ lifetime, with satisfactory parameters (S_rmax = 0.9%·K⁻¹, δT = 0.21 K at 303 K, and

\bar{δ T}

= 1.1 K). These results highlight the potential of simple coordination complexes and their nanohybrids for advanced luminescent thermometry applications. Full article

(This article belongs to the Special Issue Synthesis and Application of Luminescent Materials, 2nd Edition)

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21 pages, 2572 KB

Open AccessArticle

Comparative Removal Properties of Sodium Magadiite and Its Protonic Form on Basic-Blue 41 from Contaminated Aqueous Solution

by Thamer S. Alraddadi, Mohd Gulfam Alam, Rawan Al-Faze, Saheed A. Popoola, Souad Rakass, Hicham Oudghiri Hassani and Fethi Kooli

Inorganics 2025, 13(9), 303; https://doi.org/10.3390/inorganics13090303 - 9 Sep 2025

Abstract

Sodium magadiite (Na-Mgd) was hydrothermally prepared and converted to its protonic (H-Mgd) form by reaction with hydrochloric (HCl) solution. The obtained products were studied as adsorbents for basic blue 41 (BB-41) removal from polluted aqueous solution. Na-Mgd and H-Mgd were characterized by different [...] Read more.

Sodium magadiite (Na-Mgd) was hydrothermally prepared and converted to its protonic (H-Mgd) form by reaction with hydrochloric (HCl) solution. The obtained products were studied as adsorbents for basic blue 41 (BB-41) removal from polluted aqueous solution. Na-Mgd and H-Mgd were characterized by different techniques. Powder X-ray (PXRD) diffraction data confirmed a pure Na-Mag phase and its conversion to acidic form (H-Mgd) with shift in d₀₀₁ value from 1.54 nm to 1.12 nm. X-ray fluorescence (XRF) data supported the exchange of Na cations by protons for H-Mag. ²⁹Si magic angle spinning nuclear magnetic resonance (MAS-NMR) indicated a change in the local environment of silicon nucleus when Na-Mgd was treated with HCl solution. The BB-41 removal dyes were investigated throughout the batch process. Effects of selected parameters, for example, the adsorbent dosage, pH of the BB-41 solution, pH of the H-Mag solid, and starting concentration, were explored. The equilibrium data were fitted to the Langmuir and Freundlich isotherm models. The maxima removal capacities of Na-Mgd and H-Mgd were 219 mg/g and 114 mg/g, respectively. The regeneration and reusability tests were performed using initial concentrations of 50 mg/L and 200 mg/L for seven cycles. The efficiency was maintained for 5 to 6 cycles with a decline of 10% using low initial concentration; however, a decline of efficiency to 30 to 50% was achieved when a higher initial concentration was employed after 3 to 4 regeneration tests for Na-Mgd and H-Mgd samples. Adsorber batch design using the Langmuir and Freundlich isotherm parameters was used to predict its performance for commercial usage. The predicted masses of H-Mgd were higher than those of Na-Mgd to treat different effluent volumes contaminated with 200 mg/L of BB-41 dyes at desired removal percentages. Full article

(This article belongs to the Special Issue Advances in Metal Ion Research and Applications)

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16 pages, 2644 KB

Open AccessArticle

Prototypes of Highly Effective Stress Balancing AlN Interlayers in MOVPE GaN-on-Si (111)

by Cai Liu, Gaomin Li, Hassanet Sodabanlu, Masakazu Sugiyama and Yoshiaki Nakano

Inorganics 2025, 13(9), 302; https://doi.org/10.3390/inorganics13090302 - 7 Sep 2025

Abstract

The GaN-on-Si virtual substrate is now an indispensable platform for the application of GaN in the fields of power devices, radio frequency, light-emitting devices, etc. Such applications are still in need of more effective stress balancing techniques to achieve higher quality and stress [...] Read more.

The GaN-on-Si virtual substrate is now an indispensable platform for the application of GaN in the fields of power devices, radio frequency, light-emitting devices, etc. Such applications are still in need of more effective stress balancing techniques to achieve higher quality and stress balance in GaN-on-Si at a lower thickness. In this study, three promising practical prototypes of highly effective stress-balancing structures are proposed to realize the concept of an ideal AlN interlayer (AlN-IL) featuring a completely relaxed lower AlN/GaN interface and a fully strained upper GaN/AlN interface. The first is a single-layer AlN interlayer grown via precursor pulsed-injection (PI-AlN-IL). The second combines a low-temperature AlN (LT-AlN) underlayer with a PI-AlN-IL. The third integrates LT-AlN with a high-temperature AlN cap. Compared with optimal conventional single-layer AlN interlayer references, all these designs more effectively induced compressive stress and strain in overlying GaN layers. This study opens new technical paths to balancing stress in GaN-on-Si systems at a reduced thickness more efficiently. Full article

(This article belongs to the Special Issue Advances in Calcium-Ion Batteries)

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16 pages, 4439 KB

Open AccessArticle

Tribocatalysis of Cefuroxime Axetil: Effect of Stirring Speed, Magnetic Rods, and Beaker Material Type

by Nina Kaneva

Inorganics 2025, 13(9), 301; https://doi.org/10.3390/inorganics13090301 - 5 Sep 2025

Abstract

Mechanical energy is a plentiful, environmentally friendly, and sustainable energy source in the natural world. In this paper, ZnO tribocatalysts were synthesized using the hydrothermal and sol–gel methods. Under magnetic stirring, the catalyst particles and the polytetrafluoroethylene (PTFE)-sealed magnetic bar rub against each [...] Read more.

Mechanical energy is a plentiful, environmentally friendly, and sustainable energy source in the natural world. In this paper, ZnO tribocatalysts were synthesized using the hydrothermal and sol–gel methods. Under magnetic stirring, the catalyst particles and the polytetrafluoroethylene (PTFE)-sealed magnetic bar rub against each other, transferring electrons across the contact interface. While the PTFE absorbs the electrons, holes are left in the catalyst. The holes in the valence band of sol–gel catalysts exhibit strong oxidative ability, allowing for effective oxidation of organic pollutants. Tribocatalytic tests demonstrated that sol–gel ZnO could remove the antibiotic Cefuroxime Axetil (Axetine) more quickly when stirred magnetically in the dark. Sol–gel and hydrothermal ZnO was enhanced by varying the stirring speed (100, 300 and 500 rpm), the length (2, 2.5 and 3 cm) of magnetic rods, and the type of beaker material (glass and polytetrafluoroethylene). This work presents a viable pathway for transforming environmental mechanical energy into chemical energy, which could be utilized in sustainable energy and environmental remediation, in addition to creating a green tribocatalysis method for the oxidative purification of organic pollutants. Full article

(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials, 3rd Edition)

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35 pages, 3619 KB

Open AccessReview

Research Progress on the Preparation, Modification, and Applications of g-C₃N₄ in Photocatalysis and Piezoelectric Photocatalysis

by Mengyang Li, Liuqing Yang, Yizhe Song, Hongru Hou, Yujie Fang, Yucheng Liu, Lihao Xie and Dingze Lu

Inorganics 2025, 13(9), 300; https://doi.org/10.3390/inorganics13090300 - 5 Sep 2025

Abstract

The metal-free polymeric semiconductor graphitic carbon nitride (g-C₃N₄) has emerged as a promising material for photocatalytic applications due to its responsiveness to visible light, adjustable electronic structure, and stability. This review systematically summarizes recent advances in preparation strategies, including [...] Read more.

The metal-free polymeric semiconductor graphitic carbon nitride (g-C₃N₄) has emerged as a promising material for photocatalytic applications due to its responsiveness to visible light, adjustable electronic structure, and stability. This review systematically summarizes recent advances in preparation strategies, including thermal polycondensation, solvothermal synthesis, and template methods. Additionally, it discusses modification approaches such as heterojunction construction, elemental doping, defect engineering, morphology control, and cocatalyst loading. Furthermore, it explores the diverse applications of g-C₃N₄-based materials in photocatalysis, including hydrogen (H₂) evolution, carbon dioxide (CO₂) reduction, pollutant degradation, and the emerging field of piezoelectric photocatalysis. Particular attention is given to g-C₃N₄ composites that are rationally designed to enhance charge separation and light utilization. Additionally, the synergistic mechanism of photo–piezocatalysis is examined, wherein a mechanically induced piezoelectric field facilitates carrier separation and surface reactions. Despite significant advancements, challenges persist, including limited visible-light absorption, scalability issues, and uncertainties in the multi-field coupling mechanisms. The aim of this review is to provide guidelines for future research that may lead to the development of high-performance and energy-efficient catalytic systems in the context of environmental and energy applications. Full article

(This article belongs to the Special Issue Featured Papers in Inorganic Materials 2025)

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14 pages, 2619 KB

Open AccessArticle

Electrochemical and Gas-Solid Hydrogen Storage Properties of a Multi-Metal Magnesium-Based Alloy Obtained by Ball Milling

by Eli Grigorova, Gülhan Çakmak, Hakan Yüce and Pavel Markov

Inorganics 2025, 13(9), 299; https://doi.org/10.3390/inorganics13090299 - 4 Sep 2025

Abstract

The hydrogen sorption and electrochemical properties of the alloy Mg₅₀Ni_12.5Al_12.5V_12.5Fe_12.5 synthesized by ball milling under the protected atmosphere of argon for 50 h in a planetary ball mill are investigated. The significantly fast rate [...] Read more.

The hydrogen sorption and electrochemical properties of the alloy Mg₅₀Ni_12.5Al_12.5V_12.5Fe_12.5 synthesized by ball milling under the protected atmosphere of argon for 50 h in a planetary ball mill are investigated. The significantly fast rate of absorption reaction is observed along with the hydrogen absorption capacity of 2.04 wt.% H₂ at temperatures 200 and 300 °C and at a pressure of 1 MPa. Even at room temperature, the absorption capacity is relatively high, and it is about 1.6 wt.% H₂. The alloy ball milled for 50 h and the alloy after cycling and hydrogenation were characterized by X-ray diffraction analyses, SEM, and TEM. The prepared alloy was tested as an anode in a Ni/MH battery in a 6 M KOH electrolyte. Galvanostatic and potentiostatic discharge modes were employed, revealing activation after the third cycle and giving a discharge capacity of 257 mAh/g. Full article

(This article belongs to the Special Issue Featured Papers in Inorganic Materials 2025)

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28 pages, 987 KB

Open AccessReview

Vanadium, a Promising Element for Cancer Treatment

by Nelly López-Valdez, Adriana Gonzalez-Villalva, Marcela Rojas-Lemus, Patricia Bizarro-Nevares, Brenda Casarrubias-Tabarez, María Eugenia Cervantes-Valencia, Martha Ustarroz-Cano, Gabriela Guerrero-Palomo, Guadalupe Morales-Ricardes, José Ángel Salgado-Hernández and Teresa I. Fortoul

Inorganics 2025, 13(9), 298; https://doi.org/10.3390/inorganics13090298 - 3 Sep 2025

Abstract

In this century, cancer is one of the most important causes of death worldwide, and the need for the development of new treatment options is imperative. The use of metal-based compounds in cancer treatment has increased significantly due to certain properties of these [...] Read more.

In this century, cancer is one of the most important causes of death worldwide, and the need for the development of new treatment options is imperative. The use of metal-based compounds in cancer treatment has increased significantly due to certain properties of these elements, and vanadium has been one of the most studied transition metals in recent decades. Vanadium compounds are being explored as an option for cancer treatment because of their wide range of action mechanisms such as the induction of oxidative stress, DNA damage, cell cycle arrest, induction of apoptosis and regulation of the autophagy process, among the most important mechanisms. Their compounds have been demonstrated to be effective against the cancer types with the highest incidence and mortality rates worldwide, such as lung and breast cancer, with promising results. This review discusses a variety of new vanadium compounds, indicating their mechanisms of action and the neoplasms in which they have shown effectiveness. Full article

(This article belongs to the Special Issue New Trends in Vanadium Chemistry, Biochemistry, and Medicinal Chemistry, 2nd Edition)

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13 pages, 1342 KB

Open AccessArticle

Electrical Resistivity Control for Non-Volatile-Memory Electrodes Induced by Femtosecond Laser Irradiation of LaNiO₃ Thin Films Produced by Pulsed Laser Deposition

by Leonélio Cichetto, Jr., Carlos Doñate-Buendía, María Teresa Flores-Arias, Maria Aymerich, João Paulo de Campos da Costa, Eloísa Cordoncillo-Cordoncillo, João Paulo Pereira do Carmo, Oswaldo Hideo Ando, Jr., Héctor Beltrán Mir, Juan Manuel Andrés Bort, Elson Longo da Silva and Adenilson José Chiquito

Inorganics 2025, 13(9), 297; https://doi.org/10.3390/inorganics13090297 - 2 Sep 2025

Abstract

In this work, we investigated how the electrical resistivity of LaNiO₃ thin films deposited on SrLaAlO₄ (100), LaAlO₃ (100), and MgO (100) single-crystal substrates by the pulsed laser deposition (PLD) technique can be controlled [...] Read more.

In this work, we investigated how the electrical resistivity of LaNiO₃ thin films deposited on SrLaAlO₄ (100), LaAlO₃ (100), and MgO (100) single-crystal substrates by the pulsed laser deposition (PLD) technique can be controlled by femtosecond laser irradiation. Thin films were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (SEM-EDS), and temperature-dependent electrical resistivity measurements. The XRD data indicated good crystallinity and preferential crystallographic orientation. The electronic transport parameters of irradiated samples showed a remarkable decrease in the electrical resistivity for all studied films, which ranged from 38% to 52% depending on the temperature region considered and the type of substrate used. The results indicate a new and innovative route to decrease the electrical resistivity values in a precise, controlled, and localized manner, which could not be performed directly by well-known growth processes, allowing for direct application in non-volatile-memory electrodes. Full article

(This article belongs to the Special Issue Advanced Inorganic Semiconductor Materials, 3rd Edition)

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18 pages, 9643 KB

Open AccessArticle

Study on the Performance and Mechanism of Separating La from Light Rare Earth Elements Using Single-Column Method with a New Type of Silica-Based Phosphate-Functionalized Resin

by Ming Huang, Shunyan Ning, Juan Liu, Lifeng Chen, Mohammed F. Hamza and Yuezhou Wei

Inorganics 2025, 13(9), 296; https://doi.org/10.3390/inorganics13090296 - 1 Sep 2025

Abstract

This work develops a novel phosphate-functionalized extraction resin (HEHEHP + Cyanex272)/SiO₂-P via the vacuum impregnation method for efficient separation of light rare earth element impurities from lanthanum (La³⁺) in nitric medium through synergistic extraction. Batch experiments have demonstrated superior [...] Read more.

This work develops a novel phosphate-functionalized extraction resin (HEHEHP + Cyanex272)/SiO₂-P via the vacuum impregnation method for efficient separation of light rare earth element impurities from lanthanum (La³⁺) in nitric medium through synergistic extraction. Batch experiments have demonstrated superior adsorption selectivity toward impurity ions over La³⁺ in a pH 4 nitric acid solution. Column studies confirmed exceptional performance under ambient conditions, achieving a lanthanum treatment capacity of 120.6 mg/g and over 98% impurity removal, which surpasses most reported values. Notably, this purification process enables direct production of purified La³⁺ solutions through a single-column system without desorption, significantly enhancing efficiency and reducing costs. Mechanistic insights revealed combined ion exchange and coordination interactions between metal ions and P-OH/P=O groups, corroborated by advanced characterization and density functional theory calculations. These findings indicate a higher binding affinity of light rare earth compared with La³⁺. This strategy provides a scalable approach for ultra-high-purity lanthanum compound production in advanced optical and electronic applications. Full article

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12 pages, 1741 KB

Open AccessArticle

Reactive Anti-Solvent Engineering via Kornblum Reaction for Controlled Crystallization in (FA_0.83MA_0.17Cs_0.05)Pb(I_0.85Br_0.15)₃ Perovskite Solar Cells

by Shengcong Wu, Qiu Xiong, Abd. Rashid bin Mohd Yusoff and Peng Gao

Inorganics 2025, 13(9), 295; https://doi.org/10.3390/inorganics13090295 - 1 Sep 2025

Abstract

Regulating the crystallization dynamics of perovskite films is key to improving the efficiency and operational stability of (FA_0.83MA_0.17Cs_0.05)Pb(I_0.85Br_0.15)₃ perovskite solar cells (PSCs). However, precise regulation of the crystallization process remains challenging. Here, [...] Read more.

Regulating the crystallization dynamics of perovskite films is key to improving the efficiency and operational stability of (FA_0.83MA_0.17Cs_0.05)Pb(I_0.85Br_0.15)₃ perovskite solar cells (PSCs). However, precise regulation of the crystallization process remains challenging. Here, we introduce a reactive anti-solvent strategy based on the Kornblum reaction to modulate crystallization via in-situ chemical transformation. Specifically, trans-cinnamoyl chloride (TCC) is employed as a single-component anti-solvent additive that reacts with dimethyl sulfoxide (DMSO) in the perovskite precursor solution. The resulting acylation reaction generates carbonyl-containing products and sulfur ions. The carbonyl oxygen coordinates with Pb²⁺ ions to form Pb–O bonds, which retard rapid crystallization, suppress heterogeneous nucleation, and facilitate the growth of larger perovskite grains with improved film uniformity. Additionally, the exothermic nature of the reaction accelerates local supersaturation and nucleation. This synergistic crystallization control significantly enhances the film morphology and device performance, yielding a champion power conversion efficiency (PCE) of 23.02% and a markedly improved fill factor (FF). This work provides a new pathway for anti-solvent engineering through in-situ chemical regulation, enabling efficient and scalable fabrication of high-performance PSCs. Full article

(This article belongs to the Special Issue New Semiconductor Materials for Energy Conversion, 2nd Edition)

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25 pages, 5887 KB

Open AccessReview

Applications of Metal–Organic Frameworks and Their Derivatives in Lithium–Sulfur Battery Separators: Advances and Prospectives Focusing on Cathode-Side Polysulfide Regulation

by Minhe Kim, Taek-Seung Kim and Changhoon Choi

Inorganics 2025, 13(9), 294; https://doi.org/10.3390/inorganics13090294 - 1 Sep 2025

Abstract

Metal–organic frameworks (MOFs) and their derivatives have emerged as promising candidates for separator engineering in lithium–sulfur batteries (LSBs). This is attributed to their structural tunability, high porosity, and chemical versatility. Despite their potential, challenges such as lithium polysulfide (LiPS) shuttling, sluggish redox kinetics, [...] Read more.

Metal–organic frameworks (MOFs) and their derivatives have emerged as promising candidates for separator engineering in lithium–sulfur batteries (LSBs). This is attributed to their structural tunability, high porosity, and chemical versatility. Despite their potential, challenges such as lithium polysulfide (LiPS) shuttling, sluggish redox kinetics, and poor interfacial stability still hinder the practical deployment of LSBs. This review examines recent advances in MOF- and MOF derivative-based materials for separator modification, focusing on design strategies, functional mechanisms, and electrochemical performance. Pristine MOFs are classified into the following three key structural tuning strategies: control of the pore microenvironment, engineering of metal sites, and enhancement of electrical conductivity. Meanwhile, MOF derivatives are examined using compositional categories to highlight their distinct chemical characteristics and catalytic functionalities for LiPS regulation. Key findings demonstrate that these materials can effectively suppress polysulfide migration, accelerate LiPS redox reactions, and improve lithium-ion transport across the separator. The review also identifies remaining challenges and suggests future perspectives for bridging material-level innovations with system-level applications. Overall, MOF-based separator materials represent a versatile and impactful approach for advancing the electrochemical performance and stability of next-generation LSBs. Full article

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21 pages, 5417 KB

Open AccessArticle

Implementation of a Particle Swarm Optimization Algorithm with a Hooke’s Potential, to Obtain Cluster Structures of Carbon Atoms, and of Tungsten and Oxygen in the Ground State

by Jesús Núñez, Gustavo Liendo-Polanco, Jesús Lezama, Diego Venegas-Yazigi, José Rengel, Ulises Guevara, Pablo Díaz, Eduardo Cisternas, Tamara González-Vega, Laura M. Pérez and David Laroze

Inorganics 2025, 13(9), 293; https://doi.org/10.3390/inorganics13090293 - 31 Aug 2025

Abstract

Particle Swarm Optimization (PSO) is a metaheuristic optimization technique based on population behavior, inspired by the movement of a flock of birds or a school of fish. In this method, particles move in a search space to find the global minimum of an [...] Read more.

Particle Swarm Optimization (PSO) is a metaheuristic optimization technique based on population behavior, inspired by the movement of a flock of birds or a school of fish. In this method, particles move in a search space to find the global minimum of an objective function. In this work, a modified PSO algorithm written in Fortran 90 is proposed. The optimized structures obtained with this algorithm are compared with those obtained using the basin-hopping (BH) method written in Python (3.10), and complemented with density functional theory (DFT) calculations using the Gaussian 09 software. Additionally, the results are compared with the structural parameters reported from single crystal X-ray diffraction data for carbon clusters

C_{n}

(n = 3–5), and tungsten–oxygen clusters,

{WO}_{n}^{m -}

(n = 4–6,

m = 2, 4, 6

). The PSO algorithm performs the search for the minimum energy of a harmonic potential function in a hyperdimensional space

\in R^{3 N}

(where N is the number of atoms in the system), updating the global best position (

g_{b e s t}

) and local best position (

p_{b e s t}

), as well as the velocity and position vectors for each swarm cluster. A good approximation of the optimized structures and energies of these clusters was obtained, compared to the geometric optimization and single-point electronic energies calculated with the BH and DFT methods in the Gaussian 09 software. These results suggest that the PSO method, due to its low computational cost, could be useful for approximating a molecular structure associated with the global minimum of potential energy, accelerating the prediction of the most stable configuration or conformation, prior to ab initio electronic structure calculation. Full article

(This article belongs to the Special Issue Optical and Quantum Electronics: Physics and Materials)

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11 pages, 1638 KB

Open AccessArticle

Binuclear Gold(I) Complexes with a Potentially Tetradentate S,N,N,S Ligand

by Suelen Ferreira Sucena, Adelheid Hagenbach, Chien Thang Pham and Ulrich Abram

Inorganics 2025, 13(9), 292; https://doi.org/10.3390/inorganics13090292 - 30 Aug 2025

Abstract

The potentially tetradentate SNNS ligand N,N′-(ethane-1,2-diyl)bis(N″-(diethylcarbamothioyl)benzimidamide, H₂L, was synthesized by the reaction of ethylenediamine with two equivalents of the corresponding benzimide chloride. H₂L readily reacts with [AuCl(tht)] (tht = tetrahydrothiophene) under formation of the binuclear gold(I) complex [(AuCl)₂ [...] Read more.

The potentially tetradentate SNNS ligand N,N′-(ethane-1,2-diyl)bis(N″-(diethylcarbamothioyl)benzimidamide, H₂L, was synthesized by the reaction of ethylenediamine with two equivalents of the corresponding benzimide chloride. H₂L readily reacts with [AuCl(tht)] (tht = tetrahydrothiophene) under formation of the binuclear gold(I) complex [(AuCl)₂(H₂L-κS,S′)] (1) using its thiocarbonyl units as donors, while the nitrogen atoms remain uncoordinated, and no deprotonation was observed. The gold atoms establish almost linear Cl–Au–S bonds. The terminal Cl⁻ ligands can be replaced with thiocyanate units, giving [Au(SCN-κS)}₂((H₂L-κS,S′)] (2). The use of [Au(PPh₃)Cl] as a starting material gives the cation [{Au(PPh₃)}₂(H₂L-κS,S′)]²⁺ (3), which can be isolated as its PF₆⁻ salt. The products are air-stable compounds, which have been isolated in crystalline form and studied by X-ray diffraction and spectroscopic methods (IR, NMR, and MS). Full article

(This article belongs to the Special Issue Coordination and Organometallic Chemistry for Catalytic and Biomedical Applications)

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13 pages, 4733 KB

Open AccessArticle

A Rare Thermochromic Zwitterionic Nickel (II) Complex of the Bulky Alpha Ligand 1,2-Bis-(di-^tbutylphosphinomethyl)Benzene

by Ian R. Butler, Peter N. Horton, Simon J. Coles, William Clegg, Kevin M. Fortune, Michael G. B. Drew and Kamil Suwada

Inorganics 2025, 13(9), 291; https://doi.org/10.3390/inorganics13090291 - 30 Aug 2025

Abstract

The reaction of the bulky ligand 1,2-bis-(di-tert-butylphosphinomethyl)benzene, 1 with [Ni(DME)Cl₂], 3, DME = 1,2-dimethoxyethane, at room temperature over extended periods, affords the new blue Zwitterionic complex [2-(C₆H₄-CH₂P(H)^tBu₂-1-(CH₂ [...] Read more.

The reaction of the bulky ligand 1,2-bis-(di-tert-butylphosphinomethyl)benzene, 1 with [Ni(DME)Cl₂], 3, DME = 1,2-dimethoxyethane, at room temperature over extended periods, affords the new blue Zwitterionic complex [2-(C₆H₄-CH₂P(H)^tBu₂-1-(CH₂P^tBu₂NiCl₃)], 4, which contains a phosphonium group and an anionic nickel trichloride. This complex decomposes in alcohols such as methanol and the solution turns yellow. A discussion of the possible mechanism leading to the observed product is presented. Key to this is identification of the source of the phosphonium proton, which we speculated to arise from trace water in the initial nickel complex. To prove that trace water was present in [Ni(DME)Cl₂], a sample of this precursor was reacted under similar condition with anhydrous DMF alone. In addition to the known complex [Ni(DMF)₆)]²⁺[NiCl₄]²⁻, 5, we identified the trans-diaqua complex [Ni(Cl)₂(H₂O)₂(DMF)₂], 6, which proved the presence of trace water. Interestingly in dimethylformamide, [2-(C₆H₄-CH₂P(H)^tBu₂-1-(CH₂P^tBu₂NiCl₃)] exhibits thermochromic properties: an solution that is pale blue at ambient temperature reversibly changes colour to yellow upon cooling. This behaviour is specific to DMF and is related to the solvato-chromic behaviour exhibited by related DMF–nickel complexes. A discussion of the NMR spectra of compound 4 in a range of solvents is presented. The structures of the previously prepared molybdenum complex, [1,2-(C₆H₄-CH₂P^tBu₂)₂Mo(CO)₄] and the bis-(phosphine sulphide) of the ligand, [1,2-(C₆H₄-H₂P(S)^tBu₂)₂], 5, are described for structural comparative purposes. Full article

(This article belongs to the Section Organometallic Chemistry)

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13 pages, 1876 KB

Open AccessArticle

Fe Species Intercalation Confined by the Interlayer Environment of V₂CT_x MXene for Lithium-Ion Storage

by Jiaxin Li, Miao Liu, Jiaming Li, Wenjuan Han, Shichong Xu, Haibo Li and Ming Lu

Inorganics 2025, 13(9), 290; https://doi.org/10.3390/inorganics13090290 - 28 Aug 2025

Abstract

This work successfully achieved pre-intercalation of Fe species in V2CTx MXene through an annealing method. The crystallographic structure, microscopic morphology, and functional groups of the samples before and after pre-intercalation were analyzed by XRD, SEM, and FTIR, and the electrochemical performance of MXene [...] Read more.

This work successfully achieved pre-intercalation of Fe species in V2CTx MXene through an annealing method. The crystallographic structure, microscopic morphology, and functional groups of the samples before and after pre-intercalation were analyzed by XRD, SEM, and FTIR, and the electrochemical performance of MXene electrodes was studied. Research has shown that the interlayer spacing of pre-intercalated MXene increases with an increase in annealing temperature. The interlayer spacing of MXene annealed at 800 °C is 13.1% higher than that of the original MXene. However, the morphology of the samples was damaged by excessively high annealing temperatures, which also weakened the lithium-ion storage performance. In contrast, the cycling performance of MXene electrodes annealed at 400 °C showed the greatest improvement, reaching 71.65%. This is because iron species, acting as a pillar support structure, expand the interlayer spacing and broaden the transport channels for lithium ions. Meanwhile, high-temperature annealing generates more oxygen-containing functional groups, which provide additional active sites for lithium-ion transport, promote the kinetics of electrode reactions, and thus enhance its 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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15 pages, 3496 KB

Open AccessArticle

Effect of Composition on Electrical Resistivity and Secondary Electron Emission Regularities of Tantalum Nitride Films Fabricated by Sputtering with Various Nitrogen Gas Flow Ratios

by Yali Su, Quantai Wang and Tiantian Wang

Inorganics 2025, 13(9), 289; https://doi.org/10.3390/inorganics13090289 - 28 Aug 2025

Abstract

Tantalum nitride (TaN) is a typical transition metal nitride characterized by a wide range of tunable resistivity. Low-resistance TaN even exhibits a resistivity similar to that of metals. Given that electrical resistance influences secondary electron emission (SEE) behavior, this study investigates the relationship [...] Read more.

Tantalum nitride (TaN) is a typical transition metal nitride characterized by a wide range of tunable resistivity. Low-resistance TaN even exhibits a resistivity similar to that of metals. Given that electrical resistance influences secondary electron emission (SEE) behavior, this study investigates the relationship between TaN film resistivity and SEE characteristics. Five TaN films were deposited by varying the N₂ gas flow rate during sputtering. Morphological analyses revealed that the film thicknesses ranged from approximately 197 to 281 nm. X-ray photoelectron spectroscopy (XPS) results indicated that the Ta:N atomic ratio of the films ranged from approximately 0.53 to 0.87. Furthermore, XPS detected non-adsorbed oxygen on the surfaces of the TaN films, and more detailed XPS analysis revealed the formation of TaON compounds on the surfaces due to oxygen exposure. X-ray diffraction patterns confirmed that the TaN films contained two crystal phases: Ta₂N (002) and TaN (200). Sheet resistivity tests showed that the resistivity of the TaN films ranged from 5.67 × 10⁻³ to 2.43 Ω·cm. Furthermore, the lower the Ta:N atomic ratio was, the lower the electrical resistivity of the films became. SEE coefficient (SEEC) showed a clear positive correlation with the films’ electrical resistivity. Specifically, films with lower resistivity exhibited reduced SEEC values. When the N₂ gas flow rate was 16 sccm (N₂:Ar = 16:0), the film exhibited the smallest SEEC (maximum ~1.88); when the N₂ flow rate was 0 sccm (N₂:Ar = 0:16), the film showed the largest SEEC (maximum ~2.25). This research provides valuable references for expanding the application of TaN films in engineering scenarios involving electrical resistivity adjustment and SEE applications. Full article

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

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