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Inorganics
Scopus
ISSN 2304-6740 · MDPI AG · 2.377 artikel di indeks
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Enhancing the Photophysical Properties of NHC-Based Iron Sensitizers for Dye-Sensitized Solar Cells: A Computational Study
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…
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Activation Energy and Kinetics of First Hydrogenation in Ti48.8Fe46.0Mn5.2 Alloy Produced by Gas Atomization
The first hydrogenation behavior of the gas atomized Ti48.8Fe46.0Mn5.2 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…
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Biological Activity of Metal Complexes
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 [...]
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B-Doped ZnO Nanoparticles: Defect Chemistry, Tensile Strain, and Tunable Optical Response
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)×10−4, despite the Uniform Stress Deformation Model…
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Mn2+ Pre-Embedded V2CTx MXene as a Negative Electrode for Lithium-Ion Batteries
V2CTx 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, V2CTx MXene was synthesized via an…
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Featured Papers in Inorganic Materials 2025
Following the success of the previous edition [...]
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Ligand Rigidity and π-Surface Modulate Biomolecular Interactions and Cytotoxicity in Ru(II) Polypyridyl Complexes
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…
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Recent Advances in Hole Transport Layer Engineering for High-Performance Quantum Dot Light-Emitting Diodes
Owing to their superior color purity and solution-processability, quantum dot light-emitting diodes (QLEDs) have garnered significant attention as promising candidates for next-generation displays. However, overcoming efficiency degradation and limited operational lifetime, which stem from charge…
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Synergistic Optimization of Thermoelectric Properties of Indium Oxide-Based Thermoelectric Materials by Calcium Doping Regulation
The effects of Ca doping content on the crystal structure, electronic transport, thermal transport, and mechanical properties of In2O3 were systematically studied by means of X-ray diffraction (XRD), thermoelectric performance test, and first-principles calculation. XRD analysis shows that Ca2+ can…
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Comparation of Graph Neural Networks and Traditional Machine Learning for Property Prediction in All-Inorganic Perovskite Materials
Machine learning (ML) methods have been widely explored for predicting material properties. However, due to the rapid development of ML techniques and the diversity of available models, performance comparisons between traditional and graph-based machine learning models remain limited. Therefore, we…
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Hydrothermally Constructed ZnIn2S4/SrSnO3 Type-II Heterojunction for Highly Efficient Photocatalytic Hydrogen Evolution
To achieve high-performance photocatalysts, efficient separation of photogenerated charge carriers is critical to prolonging their lifetime and thereby enhancing the activity of the hydrogen evolution reaction. In this work, we rationally designed and synthesized a nanoflower-like SrSnO3/ZnIn2S4…
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First-Principles Study on the Enhancement of Formaldehyde Adsorption on Graphene-like ZnO via Doping Au and Vacancy Defects
Graphene-like 2D ZnO (g-ZnO), a wide-bandgap semiconductor, shows great potential for gas sensing, owing to its high surface area and carrier mobility. However, the practical use of it is hampered by its intrinsic chemical inertness. In this study, density functional theory was first used to study…
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Copper(II) Bromide Complexes: Crystal Structures, Magnetic Properties, and Hydrogen-Bond-Mediated Exchange
Copper(II) compounds exhibit interesting magnetic properties due to halide–halide, copper–halide, and intermolecular hydrogen bond interactions. In this study, seven new copper(II) bromide complexes were synthesised, six of which contain Dabco (1,4-diazabicyclo[2.2.2]octane) as a ligand…
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Evaluating Translucency and Color Changes in Lithium Disilicate Ceramics After Sintering Modification and Artificial Aging
Recent developments in all-ceramic restorative materials have enhanced the clinical applicability of lithium disilicate for aesthetic dental restorations. The current study explores the influence of sintering parameter modulation over the translucency and color change of Amber Mill and IPS e.max…
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The Calculated Structure and Energetics of (CO2)2@C84
Calculations are presented for the encapsulation of two CO2 molecules in the most common C84 fullerenes, producing (CO2)2@D2(22)-C84 and (CO2)2@D2d(23)-C84. The calculations are performed at the DFT M06-2X/6-31+G* level with the BSSE correction. The encapsulation energy for (CO2)2@D2(22)-C84 and…
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Defect Repair and Valence Restoration: A Facile Hydrothermal Strategy for Regenerating High-Performance LiFePO4 Cathodes from Spent Batteries
With the increasing deployment of lithium iron phosphate (LiFePO4) batteries in electric vehicles and energy storage systems, the recycling of these materials has become an urgent necessity. Specifically, the reclamation of lithium iron phosphate cathode materials presents a significant challenge…
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ZrO2 Coating for Surface Functionalization of Jianshui Purple Pottery: A Sol-Gel Approach with Antibacterial Performance
The surface decoration techniques, such as incising-filling, glaze spraying, wood firing, and secondary low-temperature refiring, etc., have been widely used for traditional potteries, such as Jianshui purple pottery. These surface modifications are mainly for artistic expression, whereas…
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Assessing Ammonium and Orthophosphate Ion Adsorption from Eutrophic Freshwaters with the Application of Iron-Modified Zeolites
Eutrophic inland and coastal waters, created due to excessive concentrations of nutrients, cause harmful algal blooms and decreased water quality. Chemical adsorption of ammonium and orthophosphate ions with clay-based materials is an effective method for reducing nutrient pollution. This study…
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Study on La Doping Modification and Transport Characteristics of Indium Oxide-Based Thermoelectric Materials for Waste-Heat Power Generation Application
To address the trade-off between thermoelectric efficiency in oxide thermoelectric materials used in Aiye Processing Equipment, this study investigates the effect of La doping on the thermoelectric properties of indium oxide (In2O3) through experimental characterization and mechanism analysis. The…
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Photocatalytic Antibacterial Mechanism and Biotoxicity Trade-Off of Metal-Doped M-ZIF-8 (M=Co, Cu): Progress and Challenges
The proliferation of antibiotic resistance urgently demands the development of novel non-antibiotic-dependent antimicrobial strategies. Metal–organic framework material ZIF-8, with its tunable structure and excellent biocompatibility, shows great promise in the field of photocatalytic antibacterial…
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