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Development of Modified Zeolites for Methane Separation from Diluted Streams -
Electrochemical Properties and Rate-Limiting Processes in Nd2NiO4+δ Cathode for Intermediate-Temperature Solid Oxide Fuel Cells -
Copper(II) Bromide Complexes: Crystal Structures, Magnetic Properties, and Hydrogen-Bond-Mediated Exchange -
Electrochemical Performance of Pt-Modified Mn3O4 Electrodes for Chlorine Evolution -
Photoluminescence of X-Ray-Generated Sm2+ in Co-Precipitated SrF2:Sm3+ Nanocrystals
Journal Description
Inorganics
Inorganics
is an international, peer-reviewed, open access journal on inorganic chemistry, published monthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, SCIE (Web of Science), CAPlus / SciFinder, and other databases.
- Journal Rank: JCR - Q2 (Chemistry, Inorganic and Nuclear) / CiteScore - Q2 (Inorganic Chemistry)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 14.9 days after submission; acceptance to publication is undertaken in 2.8 days (median values for papers published in this journal in the second half of 2025).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
- Testimonials: See what our authors say about Inorganics.
- Journal Cluster of Chemical Reactions and Catalysis: Catalysts, Chemistry, Electrochem, Inorganics, Molecules, Organics, Oxygen, Photochem, Reactions, Sustainable Chemistry.
Impact Factor:
3.0 (2024);
5-Year Impact Factor:
2.8 (2024)
Latest Articles
Low-Temperature Synthesis of TaxHf1−xC Solid Solutions via Pectin Gelation: Phase and Morphological Evolution
Inorganics 2026, 14(5), 139; https://doi.org/10.3390/inorganics14050139 - 16 May 2026
Abstract
Ultra-high-temperature ceramics (UHTCs) in the Ta–Hf–C ternary system are of significant interest for extreme aerospace and energy applications due to their melting points near 4000 °C. However, their synthesis typically requires extreme temperatures and pressures. This study reports a pectin-assisted low-temperature route for
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Ultra-high-temperature ceramics (UHTCs) in the Ta–Hf–C ternary system are of significant interest for extreme aerospace and energy applications due to their melting points near 4000 °C. However, their synthesis typically requires extreme temperatures and pressures. This study reports a pectin-assisted low-temperature route for Ta-rich TaxHf1−xC powder synthesis via carbothermal reduction at 1500 °C. The effect of Ta/Hf molar ratios (2.7/1, 0.9/1, and 0.3/1) on phase evolution, crystallinity, and morphology was systematically investigated. FTIR confirmed the successful formation of homogeneous hybrid organic–inorganic precursors through the chelation of metal ions with pectin functional groups. XRD results demonstrated that the Ta-rich composition (Ta/Hf = 2.7/1) promotes the formation of a high-purity (95.87%) cubic solid solution (lattice parameter a = 4.453 Å) with sharp reflections and improved crystallinity. In contrast, Hf-rich samples exhibited incomplete conversion, leaving unreacted HfO2 and Ta2Hf6O17 oxide phases due to the high thermodynamic stability of hafnia. Microstructural analysis revealed quasi-spherical TaxHf1−xC particles with an average size of approximately 123 nm, together with finer residual oxide particles of about 50 nm. Overall, these results demonstrate that pectin-assisted precursor chemistry is an effective strategy for promoting low-temperature carbide formation in Ta-rich TaxHf1−xC compositions.
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(This article belongs to the Special Issue Novel Ceramics and Refractory Composites)
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Open AccessReview
Material Design Strategies for Suppressing Thermal Runaway in Lithium-Ion Batteries
by
Xing Hu, Qinming Liu, Chenglin Ding, Kuo Yang and Bingqi Tian
Inorganics 2026, 14(5), 138; https://doi.org/10.3390/inorganics14050138 - 16 May 2026
Abstract
Thermal runaway (TR) remains a critical bottleneck for the safe application of lithium-ion battery (LIB) in large-scale energy storage systems, arising from the instability of battery materials under high temperatures. This review systematically summarizes materials design strategies to suppress TR, focusing on modifications
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Thermal runaway (TR) remains a critical bottleneck for the safe application of lithium-ion battery (LIB) in large-scale energy storage systems, arising from the instability of battery materials under high temperatures. This review systematically summarizes materials design strategies to suppress TR, focusing on modifications of cathodes, anodes, separators, and electrolytes. For cathodes, surface coating and bulk doping enhance the structural stability and thermal decomposition temperature of high-Ni materials, while nanoscale engineering and carbon networks improve the electronic conductivity and interfacial stability of LiFePO4 (LFP). For anodes, surface modification of graphite suppresses solid-electrolyte interphase degradation, and nanostructured silicon-based composites mitigate thermal failure caused by volume expansion. Separator functionalization, including ceramic coating, inorganic separators, and thermal shutdown separators, enhances thermo-mechanical stability and enables thermally triggered ion blocking. Flame-retardant electrolytes incorporate phosphorus-based, organosilicon, and halogenated additives that act through combined gas- and condensed-phase mechanisms. The review further discusses challenges in interfacial compatibility, system integration, and trade-offs among multiple performance metrics. Future efforts should focus on integrating intrinsic thermal stability with smart safety functions to achieve both high energy density and inherent safety. This review provides a systematic reference for the design and industrialization of high-safety materials for LIBs.
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(This article belongs to the Special Issue Novel Research on Electrochemical Energy Storage Materials, 2nd Edition)
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Open AccessArticle
Simulation Study on the Instability of Microscopic Columnar Structures in TiN Coatings Prepared by Magnetron Sputtering
by
Youqing Wang, Tiantian Yang, Minghui Liu, Xilin Xu, Furong Hou, Renqianzhuoma, Linjuan Yang, Xiangyi Guan, Huixia Liao and Ying Xiang
Inorganics 2026, 14(5), 137; https://doi.org/10.3390/inorganics14050137 - 16 May 2026
Abstract
To clarify the instability behavior of the columnar microstructure in RF magnetron sputtered TiN coatings under compressive loading, experimental characterization and finite element simulation were combined to investigate the microstructural features, mechanical properties, and linear and nonlinear buckling responses of the coating. TiN
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To clarify the instability behavior of the columnar microstructure in RF magnetron sputtered TiN coatings under compressive loading, experimental characterization and finite element simulation were combined to investigate the microstructural features, mechanical properties, and linear and nonlinear buckling responses of the coating. TiN coatings were deposited on cemented carbide and Si substrates by RF magnetron sputtering using a 99.9% purity TiN target. The surface and cross-sectional morphologies were characterized by field-emission scanning electron microscopy, and the nanohardness and Young’s modulus were determined by nanoindentation. Based on the experimentally observed morphology and measured mechanical properties, a finite element model of the columnar structure was established in ABAQUS, and the instability responses predicted by solid, shell, and beam element models were comparatively analyzed. The results showed that the as-deposited TiN coating exhibited a dense and uniform surface and a distinct columnar microstructure in cross-section. Linear buckling analysis indicated that the first-order critical buckling loads predicted by different element models were different, among which the solid element model gave a value of 3.43 × 10−5 N, showing the closest agreement with the theoretical result. Furthermore, nonlinear buckling analysis was performed by introducing an initial geometric imperfection of 4 × 10−3 mm based on the first-order buckling mode of the solid element model. The results showed that the columnar structure became unstable at a load of 0.74 × 10−6 N, accompanied by irreversible deformation. These findings demonstrate that linking experimentally observed TiN columnar microstructures with microstructure-informed instability analysis provides a useful perspective for understanding the local instability behavior and potential failure tendency of sputtered coatings and offers theoretical support for the structural design and reliability evaluation of protective coatings for cutting tools.
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(This article belongs to the Special Issue Novel Inorganic Coatings and Thin Films)
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DFT Investigation of CO2 Adsorption on Cu4 and Sc4 Clusters: Effects of Functional Choice, Spin State, and Vibrational Stability
by
Katherine Ortiz-Paternina, Rodrigo Ortega-Toro and Joaquín Hernández-Fernández
Inorganics 2026, 14(5), 136; https://doi.org/10.3390/inorganics14050136 - 15 May 2026
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CO2 adsorption on subnanometric metal clusters is highly sensitive to the computational protocol used to describe the potential energy surface, particularly when several low-lying geometries and spin states are accessible. In this work, CO2 adsorption on Cu4 and Sc4
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CO2 adsorption on subnanometric metal clusters is highly sensitive to the computational protocol used to describe the potential energy surface, particularly when several low-lying geometries and spin states are accessible. In this work, CO2 adsorption on Cu4 and Sc4 clusters was investigated using density functional theory (DFT) to evaluate how the choice of functional/basis-set protocol, spin multiplicity, initial geometry, and vibrational stability affects the predicted adsorption behavior. Four representative computational protocols (TPSSh, r2SCAN-3c, PBE-D4/def2-TZVP, and PBE0-SDD) were assessed for isolated clusters and cluster–CO2 complexes. The lowest harmonic vibrational frequency, ωmin, was used as a diagnostic criterion to distinguish true minima from unstable or weakly defined stationary points. Selected cases were also cross-checked using the ORCA and Gaussian quantum-chemistry packages to assess whether comparable computational settings yielded consistent stationary-point character. The results show that Cu4 generally exhibits weak CO2 binding, whereas Sc4 displays stronger but more protocol-dependent adsorption, consistent with its higher structural flexibility and more pronounced Lewis-acid character. Low-frequency and imaginary modes were found in several optimized structures, indicating that adsorption energies should not be interpreted without prior vibrational validation. The comparison also shows that variations in functional/basis-set treatment and spin multiplicity can alter both the optimized geometry and the predicted adsorption strength. Therefore, CO2 adsorption on small metal clusters should be discussed using combined structural, vibrational, and energetic criteria rather than electronic adsorption energies alone. Overall, this study provides a protocol-oriented framework for evaluating the reliability of DFT predictions in CO2 adsorption on Cu4 and Sc4 clusters.
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Open AccessArticle
Study on the Electrochemical Performance of End-of-Life Photovoltaic Crystalline Silicon as an Anode in Silicon-Air Batteries
by
Taiwei Gu, Jie Yu, Fengshuo Xi, Xiufeng Li and Shaoyuan Li
Inorganics 2026, 14(5), 135; https://doi.org/10.3390/inorganics14050135 - 15 May 2026
Abstract
With the rapid development of the photovoltaic industry, the issue of high-value conversion and utilization of end-of-life photovoltaic modules emerges. This study proposes using them in silicon-air batteries and designs a one-step pretreatment process to obtain two types of anode materials: AB@Si and
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With the rapid development of the photovoltaic industry, the issue of high-value conversion and utilization of end-of-life photovoltaic modules emerges. This study proposes using them in silicon-air batteries and designs a one-step pretreatment process to obtain two types of anode materials: AB@Si and TC@Si. Additionally, to enhance the electrochemical performance of retired crystalline silicon from PV modules as anodes for silicon-air batteries and improve their mass conversion efficiency, this study introduces Triton X-100 into the KOH electrolyte to inhibit chemical corrosion of the anodes and investigates the mechanism of action of Triton X-100. The results indicate that the surfaces of AB@Si and TC@Si exhibit a pyramidal structure, demonstrating excellent passivation resistance when used in silicon-air batteries, with maximum mass conversion efficiencies of 3.5% and 1.83%, respectively. Under the influence of Triton X-100, the maximum mass conversion efficiencies reach 6.39% and 3.09%, respectively. Polarization curves and mass loss under non-current conditions indicate that Triton X-100 primarily affects the chemical corrosion process of the silicon anode, while its impact on electrochemical corrosion is negligible. Results from contact angle measurements and adsorption energy calculations indicate that Triton X-100 adsorbs onto the silicon surface via benzene ring groups or OH groups, reducing hydrophilicity and delaying the self-corrosion process of silicon, thereby improving the battery′s discharge lifespan and mass conversion efficiency.
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(This article belongs to the Special Issue Novel Research on Electrochemical Energy Storage Materials, 2nd Edition)
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Open AccessRetraction
RETRACTED: Tayari et al. A Comprehensive Review of Recent Advances in Perovskite Materials: Electrical, Dielectric, and Magnetic Properties. Inorganics 2025, 13, 67
by
Faouzia Tayari, Silvia Soreto Teixeira, Manuel Pedro F. Graca and Kais Iben Nassar
Inorganics 2026, 14(5), 134; https://doi.org/10.3390/inorganics14050134 - 15 May 2026
Abstract
The journal retracts the article entitled “A Comprehensive Review of Recent Advances in Perovskite Materials: Electrical, Dielectric, and Magnetic Properties” [...]
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Open AccessArticle
Mechanochemical Synthesis and Luminescent Properties of Pure and Dy-Doped SrMoO4 Crystalline Phases
by
Maria Gancheva, Reni Iordanova, Iovka Koseva, Georgi Avdeev and Petar Ivanov
Inorganics 2026, 14(5), 133; https://doi.org/10.3390/inorganics14050133 - 12 May 2026
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The pure and xDy3+-doped SrMoO4 series (x = 0.5, 1.0, 1.5 and 2.0 at.%) were synthesized using a direct mechanochemical route. We found that a milling speed of 850 rpm and a milling time of 30 min result in a
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The pure and xDy3+-doped SrMoO4 series (x = 0.5, 1.0, 1.5 and 2.0 at.%) were synthesized using a direct mechanochemical route. We found that a milling speed of 850 rpm and a milling time of 30 min result in a complete chemical reaction at different concentrations of dopant ions. The phase formation, structural units, and optical properties of the obtained samples were investigated by XRD, IR, UV-Vis and PL analyses. It has been established that Dy2O3 mainly influences the lattice parameters, unit cell volumes, crystallite sizes, and microstrains. The symmetry of MoO4 groups was investigated using IR spectroscopy, and it showed that pure and Dy3+-doped SrMoO4 samples are built up of deformed structural units. The calculated optical band gap of the obtained crystal phases decreases with increasing concentrations of Dy3+ ions. The host SrMoO4 matrix shows broad blue emission centered at 430 nm under an excitation wavelength of 230 nm. All doped samples display a strong yellow emission at 570 nm, belonging to the 4F9/2 → 6H13/2 transition of Dy3+ ions. The highest luminescence intensity was observed when the concentration of the Dy3+ ion was 0.5 at.%. The mechanism of concentration quenching was mainly caused by the electric dipole–dipole interaction. The calculated CIE chromaticity coordinates of the doped samples fall in the yellow range. This study demonstrates that mechanochemical treatment is an appropriate route for the fast preparation of yellow phosphors.
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Open AccessArticle
Novel Method of Synthesizing MoO3@MgSiO3 Nanohybrids for Decontaminating Water from Pharmaceutical Pollutants
by
Mutaz Salih, Soad S. Alzahrani, Tarig G. Ibrahim, Mohamed R. Elamin, Naif Alarifi, Ahmed A. Alhadi and Babiker Y. Abdulkhair
Inorganics 2026, 14(5), 132; https://doi.org/10.3390/inorganics14050132 - 11 May 2026
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This work focused on synthesizing MgSiO3 (0%Mo@MgSi), 2.5%MoO3@MgSiO3 (2.5%Mo@MgSi), 5%MoO3@MgSiO3 (5%Mo@MgSi), and 10%MoO3@MgSiO3 (10%Mo@MgSi) by a single-step process utilizing butylated hydroxytoluene (BYHT) as a novel capping agent. The X-ray diffraction analysis of the synthesized nanohybrids
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This work focused on synthesizing MgSiO3 (0%Mo@MgSi), 2.5%MoO3@MgSiO3 (2.5%Mo@MgSi), 5%MoO3@MgSiO3 (5%Mo@MgSi), and 10%MoO3@MgSiO3 (10%Mo@MgSi) by a single-step process utilizing butylated hydroxytoluene (BYHT) as a novel capping agent. The X-ray diffraction analysis of the synthesized nanohybrids indicated amorphous nanohybrids, while the energy-dispersive X-ray spectroscopy results illustrated variations in the MoO3 doping dosages. The 0%Mo@MgSi, 2.5%Mo@MgSi, 5%Mo@MgSi, and 10%Mo@MgSi nanohybrids exhibited average sizes of 17.6, 12.2, 11.7, and 9.9 nm, respectively, and surface areas of 43.53, 40.95, 42.17, and 44.98 m2·g−1, respectively. The examination of 0%Mo@MgSi, 2.5%Mo@MgSi, 5%Mo@MgSi, and 10%Mo@MgSi nanohybrids toward the oxytetracycline (OTC) sorption resulted in qt values of 72.89, 116.89, 98.39, and 78.46 mg·g−1, respectively. The OTC sorption onto the 0%Mo@MgSi, 2.5%Mo@MgSi, 5%Mo@MgSi, and 10%Mo@MgSi aligned with the nonlinear pseudo-second order model, and both the intraparticle and liquid-film diffusion models co-influenced the OTC sorption onto the four nanohybrids. Increasing the temperature decreased OTC sorption on 2.5%Mo@MgSi, indicating exothermic sorption. The Langmuir isotherm model was more suitable than the Freundlich model for describing OTC adsorption on 2.5%Mo@MgSi. The Dubinin–Radushkevich energy (ED ≤ 8.0 kJ·mol−1) and the Gibbs free energy (ΔG° ≤ 20 kJ·mol−1) supported each other’s outcomes about the OTC removal onto 2.5%Mo@MgSi being via physisorption. The ΔG° values increased proportionally with temperature, indicating that OTC sorption becomes more spontaneous as temperature decreases. Moreover, the 2.5%Mo@MgSi exhibited excellent stability in OTC elimination up to the third cycle.
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Open AccessReview
Research Progress in Photocatalytic Degradation of Cyclic Pollutants by Electrospun Black TiO2/Ag@SiO2 Nanofiber Membranes
by
Jihao Chen and Jingwen Wang
Inorganics 2026, 14(5), 131; https://doi.org/10.3390/inorganics14050131 - 8 May 2026
Abstract
Cyclic pollutants such as dyes, antibiotics, phenols and VOCs in water and atmosphere feature stable structures and are difficult to mineralize, which constitutes the core problem in current environmental governance. Semiconductor photocatalysis provides a green strategy for the advanced treatment of such pollutants.
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Cyclic pollutants such as dyes, antibiotics, phenols and VOCs in water and atmosphere feature stable structures and are difficult to mineralize, which constitutes the core problem in current environmental governance. Semiconductor photocatalysis provides a green strategy for the advanced treatment of such pollutants. Electrospun black TiO2/Ag-loaded SiO2 nanofiber membranes have become a research hotspot owing to their multi-component synergistic advantages. This paper systematically reviews the preparation processes and structure regulation methods of electrospun SiO2 nanofiber membranes; expounds the loading strategies of black TiO2 and Ag nanoparticles, the interface regulation mechanisms and the synergistic photocatalytic mechanism of the ternary composite system; summarizes the application progress in the degradation of cyclic pollutants in water and atmospheric VOCs; and emphatically analyzes the performance characteristics and key issues in the ring-opening degradation of cyclic pollutants. Studies show that the high specific surface area and porous structure of SiO2 nanofiber membranes offer excellent support for catalytic reactions. In addition, black TiO2 achieves a full-spectrum response through defect engineering; the SPR effect and Schottky barrier of Ag significantly improve carrier separation efficiency; and the synergistic effect of the three components enhances the adsorption–catalytic degradation capacity. Current challenges remain in ring-opening efficiency and stability, requiring multi-method breakthroughs to overcome bottlenecks, clarify mechanisms and promote engineering applications. This paper provides theoretical references for the development of high-performance fiber-based photocatalytic materials and lays a foundation for the practical application of electrospun inorganic nanofiber membranes in the field of environmental catalysis.
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(This article belongs to the Special Issue Inorganic Nanomaterials for Catalysis and Energy Storage)
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Open AccessArticle
Wide-Bandgap A2TiSiO6 (A = Ca, Sr, Ba) Double Perovskites for Optoelectronic Applications
by
Łukasz Szeleszczuk, Katarzyna Mądra-Gackowska and Marcin Gackowski
Inorganics 2026, 14(5), 130; https://doi.org/10.3390/inorganics14050130 - 8 May 2026
Abstract
The structural, mechanical, electronic, and optical properties of cubic double perovskite oxides A2TiSiO6 (A = Ca, Sr, Ba) were systematically investigated using first-principles density functional theory calculations. Structural optimization within the GGA–PBE framework confirms that all compounds crystallize in
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The structural, mechanical, electronic, and optical properties of cubic double perovskite oxides A2TiSiO6 (A = Ca, Sr, Ba) were systematically investigated using first-principles density functional theory calculations. Structural optimization within the GGA–PBE framework confirms that all compounds crystallize in a stable cubic phase. The negative formation energies indicate thermodynamic stability and potential experimental synthesizability. Ab initio molecular dynamics (AIMD) simulations performed at 300 K further confirm the dynamical stability of all compounds under finite-temperature conditions. The Born–Huang stability criteria performed elastic constant analysis establishes mechanical stability and the derived mechanical moduli indicate the presence of rigid but brittle behavior with moderate amounts of elastic anisotropy. Calculation of the electronic band structure reveals that all the compounds are direct wide-bandgap semiconductors, with the HSE06 bandgaps of Ca2TiSiO6, Sr2TiSiO6 as well as Ba2TiSiO6 being 2.61, 2.50 and 2.37 eV, respectively. The optical property analysis has shown that they are strong in terms of their absorption in the visible–ultraviolet region, with high dielectric constants and good refractive indices, which makes them appropriate in optoelectronics and photovoltaic applications. On the whole, A2TiSiO6 double perovskites are promising for use as wide-bandgap materials in the development of superior optoelectronic devices.
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(This article belongs to the Special Issue Recent Progress in Perovskites)
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Tuning Room-Temperature Ferromagnetism in High-Entropy Oxide Thin Films via Vacuum Annealing-Induced Rocksalt-to-Spinel Phase Transition
by
Gaizhi Lyu, Fanglin Lan, Honglian Song, Yuanxia Lao and Sen Sun
Inorganics 2026, 14(5), 129; https://doi.org/10.3390/inorganics14050129 - 2 May 2026
Abstract
High-entropy oxide (HEO) thin films hold significant potential for applications in spintronics and catalysis; however, their widespread utilization is hindered by weak room-temperature ferromagnetism (RTFM). Herein, we demonstrate a facile vacuum annealing strategy to enhance the RTFM of HEO thin films. (FeNiAlCrMn)O films
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High-entropy oxide (HEO) thin films hold significant potential for applications in spintronics and catalysis; however, their widespread utilization is hindered by weak room-temperature ferromagnetism (RTFM). Herein, we demonstrate a facile vacuum annealing strategy to enhance the RTFM of HEO thin films. (FeNiAlCrMn)O films exhibit a saturation magnetization (MS) of 5.9 emu/cm3 and a Curie temperature (TC) of 350 K after vacuum annealing at 1173 K. Mechanistic investigations reveal that the enhanced RTFM originates from an annealing-induced phase transition from rocksalt-to-spinel. Structurally, annealing facilitates cation diffusion from octahedral to tetrahedral sites, forming a highly crystalline, long-range magnetic lattice of spinel ferrite. Electronically, tetrahedral occupation shortens M–O bonds, drives electron transfer toward metal cations, and enhances orbital hybridization, thereby strengthening magnetic exchange coupling. This study provides a simple and effective strategy for tailoring the RTFM of HEO thin films.
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(This article belongs to the Special Issue High-Entropy Alloys and High-Entropy Ceramics)
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Open AccessArticle
Ti-Ce Nanocatalysts for Evaluation in the Photodegradation of Naproxen and Acetaminophen
by
Adriana Marizcal-Barba, Gerardo Vallejo-Espinosa, Yéssica V. Contreras-Pacheco, Carlos A. Soto-Robles, Karina Nava-Andrade, María del Camen Leal-Moya, Suresh Ghotekar, Mamoun Fellah, Claudia M. Gomez, Osmín Avilés-García and Alejandro Pérez-Larios
Inorganics 2026, 14(5), 128; https://doi.org/10.3390/inorganics14050128 - 1 May 2026
Abstract
The pharmaceutical industry is a major source of pollution in wastewater effluents, characterized by chemical residues that are complex and difficult to degrade. Naproxen, a commonly detected drug in sewage effluents, exceeds safe concentrations for aquifers and is highly persistent, posing significant risks
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The pharmaceutical industry is a major source of pollution in wastewater effluents, characterized by chemical residues that are complex and difficult to degrade. Naproxen, a commonly detected drug in sewage effluents, exceeds safe concentrations for aquifers and is highly persistent, posing significant risks to aquatic life and ecosystems. This drug is known to cause long-term side effects in humans, such as gastrointestinal ulcers and nephrosis, associated with frequent and prolonged use. Additionally, the recent pandemic has led to a marked increase in drug consumption over a short period, exacerbating environmental contamination. Titanium dioxide has been extensively used as a photocatalyst in recent decades, proving effective in reducing these emerging pollutants. In this study, TiO2 doped with cerium was synthesized using the sol–gel method, with cerium concentrations varied at 1, 3, 5, and 10% by weight. The resulting nanocatalysts were characterized through nitrogen physisorption, scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-Vis diffuse reflectance spectroscopy. Photocatalytic activity was assessed using a UV-Vis spectrophotometer to monitor the degradation of the drugs. XRD analysis confirmed the crystallinity and anatase phase of TiO2. UV-Vis diffuse reflectance spectra indicated a decrease in bandgap energy of up to 3.00 eV compared to pure TiO2. The materials demonstrated significant degradation of naproxen (NPX) and acetaminophen (ACTP), both prepared at 30 ppm, over a 6 h reaction period.
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(This article belongs to the Section Inorganic Materials)
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Open AccessReview
Advances in Air-Stable Silicon-Based Anodes and Their Application in Li–Air Batteries
by
Zixuan Liu, Huafeng Zhou, Haiyong He, Deyu Wang, Zhoupeng Li and Zhengfei Chen
Inorganics 2026, 14(5), 127; https://doi.org/10.3390/inorganics14050127 - 30 Apr 2026
Abstract
In recent years, silicon-based anodes have become a model of commercial success among various high-capacity electrode materials. They also offer a promising substitute for the lithium metal anode (LMA) in lithium–air batteries (LABs), which have the highest specific energy. However, the poor air
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In recent years, silicon-based anodes have become a model of commercial success among various high-capacity electrode materials. They also offer a promising substitute for the lithium metal anode (LMA) in lithium–air batteries (LABs), which have the highest specific energy. However, the poor air stability of lithiated silicon-based anodes makes pre-lithiation considerably more difficult and costly in mass production to improve their initial Coulombic efficiency and cyclability, which complicates their material design and electrode manufacturing. To address this issue, intensified efforts have been devoted in recent years, mainly by constructing encapsulation structures, such as core–shell, pomegranate-like or peapod-like architectures. These designs have achieved significantly boosted stability in dry air and, in some cases, even under prolonged exposure to ambient humidity. On the other hand, it was found that silicon-based anodes often provide better cyclic stability than LMAs in LABs and lithium–oxygen batteries (LOBs); however, in most cases, the silicon-based anodes were not optimized for air stability. This review summarizes the relevant works on improving the air stability of silicon-based anodes and LABs/LOBs that used a silicon-based anode, intending to shed light on future development of air-stable silicon-based anodes and bridge the gap between the electrodes’ air-stability and their application in LABs/LOBs.
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(This article belongs to the Special Issue Novel Research on Electrochemical Energy Storage Materials, 2nd Edition)
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Computational Investigation of Ionization Energies and Absorption Spectra of Metallocenes: Effect of the Metal Center on Electronic Properties
by
Christina Eleftheria Tzeliou, Konstantinos P. Zois and Demeter Tzeli
Inorganics 2026, 14(5), 126; https://doi.org/10.3390/inorganics14050126 - 30 Apr 2026
Abstract
Since the synthesis of ferrocene in 1951, metallocenes have attracted attention, making the accurate prediction of their electronic structure and ionization energy crucial for understanding their photophysical and electrochemical behavior in materials and in biological systems. Here, we combined Density Functional Theory (DFT),
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Since the synthesis of ferrocene in 1951, metallocenes have attracted attention, making the accurate prediction of their electronic structure and ionization energy crucial for understanding their photophysical and electrochemical behavior in materials and in biological systems. Here, we combined Density Functional Theory (DFT), Complete Active Space Self-Consistent Field (CASSCF), NEVPT2 (N-Electron Valence State Perturbation Theory) and Coupled Cluster approaches (CCSD, DLPNO-CCSD(T)) to study the electronic structure, ionization energies (IEs) and absorption spectra of metallocene and metallocenium complexes in the gas phase and in THF implicit solvent. DFT IEs agree closely with NEVPT2 and DLPNO-CCSD(T) values and with experiment values (deviations 0.02–0.3 eV). For CASSCF and NEVPT2, the minimal active space of the d electrons at six orbitals is not enough for the accurate prediction of the IEs, while an extended active space incorporating all 3d metal electrons plus four ligand valence electrons into 15 orbitals improves the calculated IE values. In solution, computed oxidation energies (OEs) in THF reproduce experimental values and follow the Fe > Ni > Co ordering. Substitution of metallocene complexes with chromophore units results in similar OEs. Overall, the substitution effects remain modest: the effect of substitution on OE values results in differences up to 0.2 eV. These results clarify the effect of the metal center on IE and OE values and UV–vis absorption behavior.
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(This article belongs to the Special Issue Advances in Metal Ion Research and Applications)
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Recent Progress and Perspectives of Li-Argyrodite Sulfide Electrolytes: From Fundamental Mechanisms to Practical All-Solid-State Lithium Batteries
by
Tianyi Liu, Wenjie Wang, Wenzhuang Liu, Hui Xu and Jinghua Wu
Inorganics 2026, 14(5), 125; https://doi.org/10.3390/inorganics14050125 - 30 Apr 2026
Abstract
All-solid-state lithium batteries (ASSLBs) are widely regarded as a promising next-generation energy-storage technology because they offer the potential to simultaneously improve the safety and energy density of conventional lithium battery systems. Among various solid electrolytes, Li-argyrodite sulfide electrolytes (Li6PS5X
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All-solid-state lithium batteries (ASSLBs) are widely regarded as a promising next-generation energy-storage technology because they offer the potential to simultaneously improve the safety and energy density of conventional lithium battery systems. Among various solid electrolytes, Li-argyrodite sulfide electrolytes (Li6PS5X, X = Cl, Br, I) have attracted considerable attention owing to their high room-temperature ionic conductivity, good mechanical deformability, and favorable cost-effectiveness. However, for the practical deployment of Li-argyrodite sulfide electrolytes in ASSLBs, several critical challenges still need to be addressed, including limited synthesis strategies, insufficient air stability, and poor interfacial compatibility with both cathodes and anodes. This review summarizes recent advances in Li-argyrodite sulfide electrolytes from fundamental understanding to practical applications. The crystal structure characteristics and Li+ conduction mechanisms are first discussed to elucidate the origins of fast ion transport, followed by an overview of major synthesis strategies. Strategies for improving ionic conductivity, air stability, and electrode interfacial compatibility through compositional engineering and interfacial regulation are also highlighted. Finally, the prospects of Li-argyrodite sulfide electrolytes for practical all-solid-state batteries are discussed, together with the remaining challenges and future research directions.
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(This article belongs to the Special Issue Novel Research on Electrochemical Energy Storage Materials, 2nd Edition)
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Open AccessReview
Covalent Organic Frameworks for the Capture and Photoluminescent Sensing of Pharmaceutical Pollutants in Aqueous Media
by
Johana Herrero, Carmen Montoro, Raquel Gavara and Félix Zamora
Inorganics 2026, 14(5), 124; https://doi.org/10.3390/inorganics14050124 - 30 Apr 2026
Abstract
Covalent organic frameworks (COFs) have emerged as promising materials for the capture and photoluminescent detection of pharmaceutical contaminants in aquatic environments due to their tunable porosity, high surface area, and structural versatility. This review summarizes recent advances in pristine COFs and COF-based hybrid
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Covalent organic frameworks (COFs) have emerged as promising materials for the capture and photoluminescent detection of pharmaceutical contaminants in aquatic environments due to their tunable porosity, high surface area, and structural versatility. This review summarizes recent advances in pristine COFs and COF-based hybrid materials for water treatment, focusing on both the adsorption and photoluminescent sensing of pharmaceutical pollutants. The influence of framework design, linkage type, and functionalization on adsorption performance and selectivity is discussed, together with the main interaction mechanisms involved. In addition, recent developments in photoluminescent COFs for sensitive and rapid drug detection are highlighted. Attention is given to dual-function materials capable of simultaneous capture and detection, which represent an emerging strategy for efficient water remediation. Finally, current challenges related to stability, selectivity, and real-world applicability are outlined, providing perspectives for the design of next-generation COF-based systems.
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(This article belongs to the Special Issue Crystalline Porous Materials for Environment and Sensing)
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Open AccessArticle
In Situ Sulfidation-Induced Construction of Ni9S8/NiMoO4 Heterojunction and Its Synergistically Enhanced Hydrogen Evolution Performance
by
Yanhong Ding, Yong Cao, Zhichao Gao, Zijing Zeng, Chenyu Xu, Teng Fu, Jintao Yang and Yirong Zhu
Inorganics 2026, 14(5), 123; https://doi.org/10.3390/inorganics14050123 - 27 Apr 2026
Abstract
This study reports a straightforward and controllable two-step hydrothermal synthesis of novel Ni9S8@NiMoO4/NF nanospherical catalysts supported on nickel foam (NF), accompanied by a systematic evaluation of their performance in the electrochemical hydrogen evolution reaction (HER). Structural characterization
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This study reports a straightforward and controllable two-step hydrothermal synthesis of novel Ni9S8@NiMoO4/NF nanospherical catalysts supported on nickel foam (NF), accompanied by a systematic evaluation of their performance in the electrochemical hydrogen evolution reaction (HER). Structural characterization revealed a well-defined Ni9S8–NiMoO4 interfacial region, whose synergistic interaction, combined with the distinctive nanospherical morphology, substantially increased the electrochemically active surface area and the density of reactive sites, thereby optimizing HER kinetics. In alkaline media, the Ni9S8@NiMoO4/NF catalyst demonstrated outstanding electrocatalytic performance, delivering an overpotential of only 64.2 mV at a current density of 20 mA cm−2. The catalyst also exhibited a high double-layer capacitance of 22.2 mF cm−2, reflecting a substantial active interfacial area. Long-term durability tests showed negligible performance degradation after 165 h of continuous operation at 10 mA cm−2, underscoring the catalyst’s robust structural stability and durability. X-ray photoelectron spectroscopy confirmed a uniform distribution of Ni, Mo, and S across the NF framework and revealed optimized chemical states, providing material-level evidence for the enhanced performance. Collectively, this work proposes a viable strategy for designing efficient and stable HER catalysts, contributing to the advancement of green hydrogen production and clean energy technologies.
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(This article belongs to the Special Issue Advanced Inorganic Nanomaterials for Energy Conversion and Catalysis Applications, 2nd Edition)
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Open AccessArticle
A First-Principles Study of Copper-Deficient Layer and Its Effect in Chalcopyrite-Based Solar Cells: Carrier Dynamics Characteristics
by
Qinmiao Chen, Yi Ni and Hongcun Yuan
Inorganics 2026, 14(5), 122; https://doi.org/10.3390/inorganics14050122 - 26 Apr 2026
Abstract
CuIn5Se8 is reported as a remarkable copper-deficient layer that contains ordered vacancy compounds (OVCs) for high-efficiency chalcopyrite-based solar cells; however, the understanding of its carrier characteristics has remained limited. OVCs could naturally form on the surface of chalcopyrite absorber. In
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CuIn5Se8 is reported as a remarkable copper-deficient layer that contains ordered vacancy compounds (OVCs) for high-efficiency chalcopyrite-based solar cells; however, the understanding of its carrier characteristics has remained limited. OVCs could naturally form on the surface of chalcopyrite absorber. In this study, the carrier dynamics characteristics of OVCs were investigated by constructing a junction consisting of chalcopyrite absorber and CdS buffer layer. At first, the band structure of CuIn5Se8 was studied to determine the bandgap properties. Then, thermodynamic stability, defect formation energy, defects and carrier concentration, defect transition energy level of CuIn5Se8 and its Cd doping state (caused by CdS) were comparatively studied. The results suggest that Cd doping has different effects on the defect and carrier characteristics of OVCs with various chemical potentials. However, the OVC always remains n-type under the whole thermodynamically stable region, with contribution from the hallow-level InCu donor defect. Finally, the OVC’s carrier dynamics characteristics were assessed using the collected defect and carrier data. It is indicated that the OVC layer may contribute to the formation of a p-n homojunction in solar cells. Under selenium-rich conditions, the OVC layer increases the carrier density on the n-type side of p-n junction nearly 30-fold, which helps reduce the difference in carrier density and minority current density between two sides of the p-n junction. The conversion efficiency of the solar cell with OVC shows a 7.25% improvement when compared to the control. The distinct behavior of OVCs may serve as a valuable reference for the creation or improvement of a related functional film layer or device.
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(This article belongs to the Special Issue Feature Papers in Inorganic Solid-State Chemistry 2026)
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Open AccessArticle
In Vitro Antitumor Activity of Metal Complexes of Salinomycin with Cobalt (Co(II)), Copper (Cu(II)) and Zinc (Zn(II)) Ions Against Human Cervical Cancer (HeLa) and Melanoma (A375, SH-4) Cells
by
Tanya Zhivkova, Hristo Hristov, Radostina Alexandrova, Abedulkadir Abudalleh, Lora Dyakova, Peter Dorkov and Juliana Ivanova
Inorganics 2026, 14(5), 121; https://doi.org/10.3390/inorganics14050121 - 24 Apr 2026
Abstract
In this study, we present new data about the cytotoxic activity of metal complexes of salinomycin with Co(II), Cu(II) and Zn(II) against human cervical cancer (HeLa) and melanoma (A375, SH-4) cell lines. The effect of the compounds on cell viability and proliferation was
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In this study, we present new data about the cytotoxic activity of metal complexes of salinomycin with Co(II), Cu(II) and Zn(II) against human cervical cancer (HeLa) and melanoma (A375, SH-4) cell lines. The effect of the compounds on cell viability and proliferation was evaluated in short-term experiments (up to 72 h) with monolayer cultures using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) test, neutral red uptake (NR), crystal violet staining (CV) and double staining with acridine orange (AO) and propidium iodide (PI). The cytotoxic effect of the metal complexes of salinomycin was found to be comparable and even superior to that of the commercial antitumor agents cisplatin and oxaliplatin. Long-term experiments revealed the ability of the compounds to completely suppress 3D cell growth when applied at concentrations ≥ 3.1 μM (for HeLa cells) and ≥6.2 µM (for A375 cells). Embryonic Lep-3 cells are highly sensitive to the influence of the complexes investigated, whereas non-tumor HaCaT human keratinocytes exhibit relatively higher resistance to their cytotoxic effect compared to tumor cell lines. The Zn(II) disalinomycinate exerted the highest selectivity index among the tested compounds against melanoma cells, whereas the non-coordinated antibiotic showed pronounced selectivity toward HeLa cells.
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(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field, 2nd Edition)
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Open AccessReview
Metal Decorated–ZnO and TiO2 Nanocomposites for Degradation of Organic Pollutants—A Mini Review
by
Mpho Phillip Motloung and Mokgaotsa Jonas Mochane
Inorganics 2026, 14(5), 120; https://doi.org/10.3390/inorganics14050120 - 22 Apr 2026
Abstract
Water pollution caused by harmful organic pollutants discharged from various industries, such as textiles, pharmaceuticals, papermaking, and printing, is resulting in serious health complications and adversely impacting aquatic life. Numerous strategies/methods have been employed to remove these pollutants from water streams. Amongst them,
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Water pollution caused by harmful organic pollutants discharged from various industries, such as textiles, pharmaceuticals, papermaking, and printing, is resulting in serious health complications and adversely impacting aquatic life. Numerous strategies/methods have been employed to remove these pollutants from water streams. Amongst them, photocatalysts have proven effective in tackling these issues. Zinc oxide (ZnO) and titanium Dioxide (TiO2) photocatalysts are at the forefront due to their exceptional properties, which render them ideal for wastewater treatment. However, their full capacity as photocatalysts is limited by the wide band gap and faster electron-hole recombination rates. Metal decoration on the surface of these semiconductors is one of the fascinating strategies to address these limitations. In this brief review, the synthesis, morphology, and photocatalytic activity of ZnO and TiO2 decorated with metal nanoparticles (NPs) towards the degradation of harmful organic pollutants from various industries are presented. Metal decoration of the surface of ZnO and TiO2 is a viable method to enhance the photocatalytic activity of these semiconductors, particularly under visible light.
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(This article belongs to the Special Issue Inorganic Photocatalysts for Environmental Applications)
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