Journal Description
Inorganics
Inorganics
is an international, scientific, 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 & Nuclear) / CiteScore - Q2 (Inorganic Chemistry)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 12.8 days after submission; acceptance to publication is undertaken in 2.9 days (median values for papers published in this journal in the second half of 2023).
- 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.
Impact Factor:
2.9 (2022);
5-Year Impact Factor:
2.5 (2022)
Latest Articles
Effect of TiC Particles on the Properties of Copper Matrix Composites
Inorganics 2024, 12(4), 120; https://doi.org/10.3390/inorganics12040120 - 17 Apr 2024
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In this study, TiC particle-reinforced Cu-based composites were prepared by powder metallurgy and spark plasma sintering (SPS) techniques. The mechanical and electrical properties of TiC/Cu composites were analyzed in conjunction with micro-morphology. The results showed that: TiC was fully diffused in the Cu
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In this study, TiC particle-reinforced Cu-based composites were prepared by powder metallurgy and spark plasma sintering (SPS) techniques. The mechanical and electrical properties of TiC/Cu composites were analyzed in conjunction with micro-morphology. The results showed that: TiC was fully diffused in the Cu matrix at a sintering temperature of 900 °C. The micron-sized TiC particles were most uniformly distributed in the Cu matrix and had the best performance. At this time, the densification of 5 wt.% TiC/Cu composites reached 97.19%, and the conductivity, hardness, and compressive yield strength were 11.47 MS·m−1, 112.9 HV, and 162 MPa, respectively. The effect of TiC content on the overall properties of the composites was investigated at a sintering temperature of 900 °C. The TiC content of the composites was also found to have a significant influence on the overall properties of the composites. The best performance of the composites was obtained when the TiC mass fraction was 10%. The average values of density, hardness, yield strength and conductivity of the 10 wt.% TiC/Cu composites were 90.07%, 128.3 HV, 272 MPa and 9.98 MS·m−1, respectively. The yield strength was 272 MPa, and the compressive strain was 38.8%. With the increase in TiC content, although the yield strength increased, the brittleness increased due to more weak interfaces in the composites.
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Open AccessArticle
Fe3O4-ZnO:V Nanocomposites with Modulable Properties as Magnetic Recoverable Photocatalysts
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Ana Varadi, Cristian Leostean, Maria Stefan, Adriana Popa, Dana Toloman, Stela Pruneanu, Septimiu Tripon and Sergiu Macavei
Inorganics 2024, 12(4), 119; https://doi.org/10.3390/inorganics12040119 - 17 Apr 2024
Abstract
Since semiconductor-based photocatalysis uses solar energy as a free and sustainable energy source and inoffensive photocatalysts, it has been found to be a promising green approach to eliminating dyes, antibiotics, and other pharmaceuticals from water that has been contaminated. In this study, a
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Since semiconductor-based photocatalysis uses solar energy as a free and sustainable energy source and inoffensive photocatalysts, it has been found to be a promising green approach to eliminating dyes, antibiotics, and other pharmaceuticals from water that has been contaminated. In this study, a distinctive magnetic separable Fe3O4-ZnO:V photocatalyst is reported. ZnO:V semiconductors have been produced by seed-assisted growth over preformed magnetite to develop Fe3O4-ZnO:V nanocomposites. The results indicated nanocomposites with the structure of Fe3O4, ZnO:V, according to the findings of the XRD, XPS, and HRTEM investigations. Additionally, magnetic studies revealed at room temperature, the nanocomposite exhibited superparamagnetic properties. Electrochemical Impedance Spectroscopy (EIS) was employed to characterize the ability of the Fe3O4-ZnO:V nanocomposites to transfer electrons. Furthermore, the impact of dopant on optical characteristics was evaluated. When exposed to rhodamine B (RhB), all the samples exhibited photocatalytic activity. Through the use of an ESR experiment and the spin-trapping technique, the existence of reactive oxygen species (ROS) at the solid–liquid interface was demonstrated, and their impact on the samples’ photocatalytic activity was highlighted. After recycling, XRD, XPS, and SEM were performed to illustrate the stability of the material. The impact of V doping on the morphologic, structural, and compositional properties of magnetically separable Fe3O4-ZnO:V composite nanoparticles for photocatalytic applications is the innovative aspect of our work.
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(This article belongs to the Special Issue Magnetic Materials and Their Applications)
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Open AccessArticle
Hybrid Siloxane Materials Based on a Mutually Reactive Epoxy–Amine System: Synthesis, Structure, and Thermal Stability Investigations
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Maria Emiliana Fortună, Maria Ignat, Niţă Tudorachi, Elena Ungureanu, Răzvan Rotaru and Valeria Harabagiu
Inorganics 2024, 12(4), 118; https://doi.org/10.3390/inorganics12040118 - 17 Apr 2024
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Hybrid siloxane materials based on a mutually reactive epoxy–amine system are organic-inorganic hybrid materials synthesized via the sol–gel reaction of siloxane precursors, followed by the polymerization of organo-functionalized oligosiloxanes. Therefore, using a new hybrid system as the reaction product resulting from the reaction
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Hybrid siloxane materials based on a mutually reactive epoxy–amine system are organic-inorganic hybrid materials synthesized via the sol–gel reaction of siloxane precursors, followed by the polymerization of organo-functionalized oligosiloxanes. Therefore, using a new hybrid system as the reaction product resulting from the reaction between 1,3-bis(3-glycidoxypropyl)-l, 1,3,3-tetramethyldisiloxane—C16H34O5Si2—(gp-DS) and p-phenylenediamine—C6H4(NH2)2—(PPD), an aromatic diamine, was obtained. The chemical structure of the synthesized hybrid siloxane material was confirmed via Fourier Transform Infra-Red (FTIR) spectroscopy, mass spectrometry (MS), and 1H-NMR spectroscopy. The morphology and surface chemical composition was highlighted via scanning electron microscopy (SEM) equipped with an EDX elemental analysis system. Further, the thermal stabilities of the prepared hybrid siloxane and its precursors have been investigated via thermogravimetric analysis (TGA), proving the modification of epoxy-functional disiloxanes with a paraphenylenediamine reagent that made it possible to produce hybrid siloxane materials with very good thermal stabilities and dual weak hydrophilic/hydrophobic surfaces.
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Open AccessArticle
Improving Zinc-Ion Batteries’ Performance: The Role of Nitrogen Doping in V2O3/C Cathodes
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He Lin, Huanhuan Cheng and Yu Zhang
Inorganics 2024, 12(4), 117; https://doi.org/10.3390/inorganics12040117 - 16 Apr 2024
Abstract
This study presents the synthesis and electrochemical evaluation of nitrogen-doped vanadium oxide (N−V2O3/C) as a cathode material for aqueous zinc-ion batteries (AZIBs), using a hydrothermal method. Compared to undoped V2O3/C, N−V2O3/C
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This study presents the synthesis and electrochemical evaluation of nitrogen-doped vanadium oxide (N−V2O3/C) as a cathode material for aqueous zinc-ion batteries (AZIBs), using a hydrothermal method. Compared to undoped V2O3/C, N−V2O3/C exhibits enhanced electrical conductivity, capacity, and electrochemical kinetics, attributed to the incorporation of pyridinic and pyrrolic nitrogen. The initial charge–discharge cycles indicate phase transitions to amorphous vanadium oxides, enhancing conductivity. N−V2O3/C shows a high specific capacity of 168.4 mAh g−1 at 10 A g−1 and remarkable reversibility, highlighted by the transient existence of intermediate species during cycling. Optimal electrochemical performance is achieved with a vanadium-to-nitrogen molar ratio of 2:3, indicating the significant impact of the nitrogen doping concentration on the material’s efficiency. This work underscores the potential of N−V2O3/C as a superior cathode material for AZIBs.
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(This article belongs to the Special Issue Advanced Electrode Materials for Energy Storage Devices)
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Synthesis and Application Insights of New Phosphate Materials A2MnP2O7 (A = Na, K, Li) as Corrosion Inhibitors
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Oumaima Moumouche, Hammadi El Harmouchi, Safae Alami, Moussa Ouakki, Redouane Khaoulaf, Khalid Brouzi, Mohamed Ebn Touhami, Hassane Lgaz and Mohamed Harcharras
Inorganics 2024, 12(4), 116; https://doi.org/10.3390/inorganics12040116 - 16 Apr 2024
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This study comprehensively characterizes synthesized phosphate materials, specifically A2MnP2O7 (where A represents Na, K, or Li), utilizing the X-ray diffraction (XRD) and infrared (IR) spectroscopy techniques. The XRD results corroborate the crystalline nature of these compounds, while the
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This study comprehensively characterizes synthesized phosphate materials, specifically A2MnP2O7 (where A represents Na, K, or Li), utilizing the X-ray diffraction (XRD) and infrared (IR) spectroscopy techniques. The XRD results corroborate the crystalline nature of these compounds, while the IR spectra disclose pivotal structural characteristics, including the bent geometry of the POP bridge. A significant observation is the mismatch of specific IR bands, suggesting a non-centrosymmetric arrangement in the A2MnP2O7 crystal lattice. The synthesized materials were evaluated as corrosion inhibitors for mild steel (MS) in 3 wt.% NaCl. Electrochemical assessments indicate that these materials act as mixed-type inhibitors, demonstrating high inhibition efficiencies (η%), reaching peak values of 88.3% for Na2MnP2O7, 87% for K2MnP2O7, and 86.7% for Li2MnP2O7 at a concentration of 10−3 mol/L. The study also elucidates the thermodynamic and kinetic parameters dictating the inhibition phenomena. Additionally, scanning electron microscopy (SEM) was employed to examine the surface morphology of mild steel in the presence of these inhibitors.
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Open AccessArticle
Synthesis, Properties, and Electrochemistry of bis(iminophosphorane)pyridine Iron(II) Pincer Complexes
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Nicolás Sánchez López, Erick Nuñez Bahena, Alexander D. Ryabov, Pierre Sutra, Alain Igau and Ronan Le Lagadec
Inorganics 2024, 12(4), 115; https://doi.org/10.3390/inorganics12040115 - 16 Apr 2024
Abstract
Iron derivatives have emerged as valuable catalysts for a variety of transformations, as well as for biological and photophysical applications, and iminophosphorane can be considered an ideal ligand scaffold for modulating electronic and steric parameters in transition metal complexes. In this report, we
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Iron derivatives have emerged as valuable catalysts for a variety of transformations, as well as for biological and photophysical applications, and iminophosphorane can be considered an ideal ligand scaffold for modulating electronic and steric parameters in transition metal complexes. In this report, we aimed to synthesize dichloride and dibromide iron(II) complexes supported by symmetric bis(iminophosphorane)pyridine ligands, starting from readily available ferrous halides. The ease of synthesis of this class of ligands served to access several derivatives with distinct electronic and steric properties imparted by the phosphine moiety. The ligands and the resulting iron(II) complexes were characterized by 31P and 1H NMR spectroscopy and DART or ESI mass spectrometry. While none of these iron(II) complexes could be characterized by single-crystal X-ray diffraction, suitable crystals of a µ-O bridged dinuclear iron complex bearing an iminophosphorane ligand were obtained, confirming a κ3 binding motif. The bis(iminophosphorane)pyridine ligands in the obtained iron(II) complexes are labile, as demonstrated by their facile substitution by terpyridine. Cyclic voltammetry studies revealed that the oxidation of bis(iminophosphorane)pyridine iron(II) complexes to iron(III) species is quasi-reversible, suggesting the strong thermodynamic stabilization of the iron(III) center imparted by the σ-donating iminophosphorane ligands.
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(This article belongs to the Special Issue Metal Complexes Diversity: Synthesis, Conformations, and Bioactivity)
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Synthesis, Spectral Characterization, and Structural Modelling of Di- and Trinuclear Iron(III) Monensinates with Different Bridging Patterns
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Nikolay Petkov, Alia Tadjer, Svetlana Simova, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina Stoyanova, Rositsa Kukeva, Petar Dorkov and Ivayla Pantcheva
Inorganics 2024, 12(4), 114; https://doi.org/10.3390/inorganics12040114 - 15 Apr 2024
Abstract
In the present study, we report the solid-state isolation and structural characterization of novel iron(III) complexes of the veterinary antibiotic monensin. Monensic acid (MonH × H2O) forms a dinuclear complex of composition with FeCl3 [FeCl(Mon)2]2 (1
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In the present study, we report the solid-state isolation and structural characterization of novel iron(III) complexes of the veterinary antibiotic monensin. Monensic acid (MonH × H2O) forms a dinuclear complex of composition with FeCl3 [FeCl(Mon)2]2 (1), while its interaction with FeSO4 leads to the isolation of a triangular oxo-ferric coordination species [Fe3O(Mon × H2O)6(H2O)2(OH)] (2). During the procedure resulting in 2, oxidation of the Fe(II) ions by atmospheric oxygen was observed. In the presence of organic bases, both complexation reactions proceeded to successfully deprotonate the carboxylic function of the ligand. Iron(III) complexes 1 and 2 were characterized by IR, EPR, NMR, and Mössbauer spectroscopies as well as with thermal (TG-DTA/MS) and elemental analyses. In addition, the structures of the two coordination compounds were modelled and selected calculated parameters were compared with the experimental results. The biological assay revealed the enhanced antibacterial potential of the newly obtained complexes against the Gram-positive aerobic microorganisms Bacillus cereus and Bacillus subtilis.
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(This article belongs to the Special Issue Metal Complexes Diversity: Synthesis, Conformations, and Bioactivity)
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Functionalization of Na2Ca2Si3O9/Ca8Si5O18 Nanostructures with Chitosan and Terephthalaldehyde Crosslinked Chitosan for Effective Elimination of Pb(II) Ions from Aqueous Media
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Eida S. Al-Farraj, Abdullah N. Alotaibi, Ehab A. Abdelrahman, Fawaz A. Saad, Khalil ur Rehman, Faisal K. Algethami and Reem K. Shah
Inorganics 2024, 12(4), 113; https://doi.org/10.3390/inorganics12040113 - 15 Apr 2024
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Lead poses significant health risks to humans, including neurological and developmental impairments, particularly in children. Additionally, lead pollution in the environment can contaminate soil, water, and air, endangering wildlife and ecosystems. Therefore, this study reports the straightforward fabrication of Na2Ca2
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Lead poses significant health risks to humans, including neurological and developmental impairments, particularly in children. Additionally, lead pollution in the environment can contaminate soil, water, and air, endangering wildlife and ecosystems. Therefore, this study reports the straightforward fabrication of Na2Ca2Si3O9/Ca8Si5O18 nanostructures (NaCaSilicate) utilizing a sol-gel technique. Additionally, the produced nanostructures underwent further modification with chitosan (CS@NaCaSilicate) and chitosan crosslinked with terephthalaldehyde (CCS@NaCaSilicate), resulting in new nanocomposite materials. These samples were developed to efficiently extract Pb(II) ions from aqueous media through complexation and ion exchange mechanisms. Furthermore, the maximum adsorption capacity for Pb(II) ions by the NaCaSilicate, CS@NaCaSilicate, and CCS@NaCaSilicate samples is 185.53, 245.70, and 359.71 mg/g, respectively. The uptake of Pb(II) ions was characterized as spontaneous, exothermic, and chemical, with the best description provided by the Langmuir equilibrium isotherm and the pseudo-second-order kinetic model. Furthermore, a 9 M hydrochloric acid solution effectively eliminated Pb(II) ions from the synthesized samples, attaining a desorption efficacy surpassing 99%. Additionally, the fabricated samples exhibited efficient reusability across five successive cycles of adsorption and desorption for capturing Pb(II) ions.
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Open AccessReview
Structure, Properties, and Preparation of MXene and the Application of Its Composites in Supercapacitors
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Mingming Sun, Wen Ye, Jingyao Zhang and Kaining Zheng
Inorganics 2024, 12(4), 112; https://doi.org/10.3390/inorganics12040112 - 12 Apr 2024
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Two-dimensional transition metal carbides/nitrides (MXenes) are emerging members of the two-dimensional material family, obtained by removing the A layer of the MAX phase through methods such as liquid-phase etching. This article summarizes the structure and properties of MXenes, as well as several preparation
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Two-dimensional transition metal carbides/nitrides (MXenes) are emerging members of the two-dimensional material family, obtained by removing the A layer of the MAX phase through methods such as liquid-phase etching. This article summarizes the structure and properties of MXenes, as well as several preparation methods, including etching with hydrofluoric acid and fluoride salts, alkali-based etching, electrochemical etching, Lewis acid molten salt etching, and direct synthesis. Due to their unique two-dimensional structure and surface chemistry, MXenes exhibit good metallic conductivity, hydrophilicity, excellent flexibility, and ion intercalation properties, showing great potential in the research and application of supercapacitors and attracting widespread attention. The combination of MXene with other types of materials, including polymers, metal hydroxides, metal oxides, and carbon materials, takes advantage of composites to improve energy storage performance and shows great potential in the research and application of supercapacitors. This article provides a detailed summary of MXene composite materials and capacitor performance and introduces the research progress of MXene materials in the field of supercapacitor energy storage applications, aiming to provide references for the preparation of high-performance MXene supercapacitor electrode materials.
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(This article belongs to the Special Issue Recent Advances in Energy Storage and Conversion)
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‘Charge Reverse’ Halogen Bonding Contacts in Metal-Organic Multi-Component Compounds: Antiproliferative Evaluation and Theoretical Studies
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Subham Banik, Trishnajyoti Baishya, Rosa M. Gomila, Antonio Frontera, Miquel Barcelo-Oliver, Akalesh K. Verma, Jumi Das and Manjit K. Bhattacharyya
Inorganics 2024, 12(4), 111; https://doi.org/10.3390/inorganics12040111 - 09 Apr 2024
Abstract
Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO
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Two new metal–organic multi-component compounds of Ni(II) and Co(II), viz. [Ni(3-CNpy)2(H2O)4]ADS·2.75H2O (1) and [Co(3-CNpy)2(H2O)4](4-ClbzSO3)2 (2) (3-CNpy = 3-cyanopyridine, ADS = anthraquinone-1,5-disulfonate, 4-ClbzSO3 = 4-chlorobenzenesulfonate), were synthesized and characterized using single crystal XRD, TGA, spectroscopic (IR, electronic) and elemental analyses. Both the compounds crystallize as multi-component compounds of Ni(II) and Co(II), with uncoordinated ADS and 4-ClbzSO3 moieties in the crystal lattice, respectively. Crystal structure analyses revealed the presence of antiparallel nitrile···nitrile and π-stacked assemblies involving alternate coordinated 3-CNpy and uncoordinated ADS and 4-ClbzSO3 moieties. Moreover, unconventional charge reverse Cl∙∙∙N halogen bonding contacts observed in compound 2 provide additional reinforcement to the crystal structure. Theoretical calculations confirm that the H-bonding interactions, along with anion–π(arene) and anion–π(CN) in 1 and π–π, antiparallel CN···CN and charge reverse Cl···N halogen bonds in 2, play crucial roles in the solid state stability of the compounds. In vitro anticancer activities observed through the trypan blue cell cytotoxicity assay reveal that the compounds induce significant concentration dependent cytotoxicity in Dalton’s lymphoma (DL) cancer cells, with nominal effects in normal healthy cells. Molecular docking studies reveal that the compounds can effectively bind with the active sites of anti-apoptotic proteins, which are actively involved in cancer progression.
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(This article belongs to the Special Issue Metal-Based Compounds: Relevance for the Biomedical Field)
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Inclusion Complexes between β-Cyclodextrin and Gaseous Substances—N2O, CO2, HCN, NO2, SO2, CH4 and CH3CH2CH3: Role of the Host’s Cavity Hydration
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Todor Dudev and Tony Spassov
Inorganics 2024, 12(4), 110; https://doi.org/10.3390/inorganics12040110 - 09 Apr 2024
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The thermodynamic aspects of the process of inclusion complex formation between β-cyclodextrin (acting as a host) and gaseous substances (guests; N2O, CO2, NO2, SO2, HCN, CH4, CH3CH2CH3)
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The thermodynamic aspects of the process of inclusion complex formation between β-cyclodextrin (acting as a host) and gaseous substances (guests; N2O, CO2, NO2, SO2, HCN, CH4, CH3CH2CH3) are studied by employing well-calibrated and tested density functional theory (DFT) calculations. This study sheds new light on the intimate mechanism of the β-cyclodextrin/gas complex formation and answers several intriguing questions: how the polarity and size of the guest molecule influence the complexation thermodynamics; which process of encapsulation by the host macrocycle is more advantageous—insertion to the central cavity without hydration water displacement or guest binding accompanied by a displacement of water molecule(s); what the major factors governing the formation of the complex between β-cyclodextrin and gaseous substances are. The special role that the cluster of water molecules inside the host’s internal cavity plays in the encapsulation process is emphasized.
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Catalytic Conversion of Jatropha curcas Oil to Biodiesel Using Mussel Shell-Derived Catalyst: Characterization, Stability, and Comparative Study
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Manal E. Shafi, Halimah A. Alsabi, Suad H. Almasoudi, Faten A. M. Mufti, Safaa A. Alowaidi and Alaa A. Alaswad
Inorganics 2024, 12(4), 109; https://doi.org/10.3390/inorganics12040109 - 08 Apr 2024
Abstract
Biodiesel represents a promising solution for sustainable energy needs, offering an eco-friendly alternative to conventional fossil fuels. In this research, we investigate the use of a catalyst derived from mussel shells to facilitate biodiesel production from Jatropha curcas oil. Our findings from X-ray
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Biodiesel represents a promising solution for sustainable energy needs, offering an eco-friendly alternative to conventional fossil fuels. In this research, we investigate the use of a catalyst derived from mussel shells to facilitate biodiesel production from Jatropha curcas oil. Our findings from X-ray Fluorescence (XRF) analysis emphasize the importance of carefully selecting calcination temperatures for mussel shell-based catalysts, with 1100 °C identified as optimal for maximizing CaO content. We identify a reaction time of 6 h as potentially optimal, with a reaction temperature of approximately 110 °C yielding the desired methyl ester composition. Notably, a methanol-to-oil ratio of 18:1 is the most favorable condition, and the optimal methyl ester composition is achieved at a calcined catalyst temperature of 900 °C. We also assess the stability of the catalyst, demonstrating its potential for reuse up to five times. Additionally, a thorough analysis of J. curcas Methyl Ester (JCME) biodiesel properties confirmed compliance with industry standards, with variations attributed to the unique characteristics of JCME. Comparing homogeneous (NaOH) and heterogeneous (CaO) catalysts highlights the potential of environmentally sourced heterogeneous catalysts to replace their homogeneous counterparts while maintaining efficiency. Our study presents a novel approach to sustainable biodiesel production, outlining optimal conditions and catalyst stability and highlighting additional benefits compared with NaOH catalysts. Therefore, utilizing mussel shell waste for catalyst synthesis can efficiently eliminate waste and produce cost-effective catalysts.
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(This article belongs to the Section Organometallic Chemistry)
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Synthesis and Characterization of Zn-Salophen Complexes with Different D–A Distances: An Approach to Tuning the Intersystem-Crossing Process
by
Ze-Hao Li, Zi-Yi Tang, Jing Zhang and Jun-Long Zhang
Inorganics 2024, 12(4), 108; https://doi.org/10.3390/inorganics12040108 - 08 Apr 2024
Abstract
A series of novel zinc-salophen (salophen = N, N′-phenylenebis(salicylimine)) complexes (Zn-1–4) with electron donor–acceptor (D–A) structure were synthesized and characterized using a triphenylamine structure as the electron donor. Zn-salophen complexes with the same substituent sites have been reported to exhibit significant
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A series of novel zinc-salophen (salophen = N, N′-phenylenebis(salicylimine)) complexes (Zn-1–4) with electron donor–acceptor (D–A) structure were synthesized and characterized using a triphenylamine structure as the electron donor. Zn-salophen complexes with the same substituent sites have been reported to exhibit significant CT properties. The design of the D–A structure and the increase in the number of benzene rings to increase the length of bridging groups have led to a reduction in the energy difference between charge separation singlet and triplet states, resulting in the production of reactive oxygen species (ROS) under light irradiation. The ability has been enhanced (in terms of the production of singlet oxygen (1O2), compared with Zn-salophen, Zn-4 is 1.58 times higher). This method has been reported to enhance the intersystem crossing process of compounds, thereby enabling them to reach a triple excited state, but the generation of ROS has not been studied. Although the enhancement is not very significant, it has expanded the medical application prospects of these types of complexes and has provided a new strategy to enhance the production of ROS.
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(This article belongs to the Special Issue Editorial Board Members’ Collection Series in “Featuring Ligands and Their Applications in Coordination Chemistry”)
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Zinc Storage Performance of Oxygen-Deficient NH4V3O8: Theoretical and Experimental Study
by
He Lin, Xuanxuan Cai and Yu Zhang
Inorganics 2024, 12(4), 107; https://doi.org/10.3390/inorganics12040107 - 08 Apr 2024
Abstract
Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre- and post-oxygen defect (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of
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Using density functional theory (DFT), the density of states of NH4V3O8 (NVO) was analyzed pre- and post-oxygen defect (Od) formation. The findings revealed a reduced bandgap in NVO after Od introduction, emphasizing the role of Od in enhancing conductivity of the material, thus improving its electrochemical attributes. Through the water bath method, both NVO and its oxygen-deficient counterpart, (NH4)2V10O25·8H2O (NVOd), were synthesized as potential cathode materials for aqueous zinc-ion batteries (AZIBs). Experimental outcomes resonated with DFT predictions, highlighting the beneficial role of oxygen defects in boosting electrical conductivity. Notably, the refined material displayed a remarkable capacity of 479.3 mAh g−1 at 0.1 A g−1, underscoring its promise for advanced energy storage solutions.
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(This article belongs to the Special Issue Advanced Electrode Materials for Energy Storage Devices)
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Molecular Logic Gates Based on Ferrocene-Containing Compounds
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Christina Eleftheria Tzeliou, Konstantinos P. Zois and Demeter Tzeli
Inorganics 2024, 12(4), 106; https://doi.org/10.3390/inorganics12040106 - 06 Apr 2024
Abstract
Ferrocene has a unique structure, i.e., a central iron atom neatly sandwiched between two cyclopentadienyl rings, which has revolutionized the chemists’ views about how metals bind to organic π-systems. This structural arrangement leads to some fascinating chemical and photophysical properties. The last three
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Ferrocene has a unique structure, i.e., a central iron atom neatly sandwiched between two cyclopentadienyl rings, which has revolutionized the chemists’ views about how metals bind to organic π-systems. This structural arrangement leads to some fascinating chemical and photophysical properties. The last three decades, there were reports about receptor molecules that could be considered to perform simple logic operations via coupling ionic bonding or more complex molecular-recognition processes with photonic (fluorescence) signals. In these systems, chemical binding (‘input’) results in a change in fluorescence intensity (‘output’) from the receptor. It has been proven that molecules respond to changes in their environment, such as the presence of various ions, neutral species, pHs, temperatures, and viscosities. Since their first realization by de Silva, molecular logic gates have been intensively experimentally studied, with purely theoretical studies being less common. Here, we present the research that has been conducted on Molecular Logic Gates (MLGs) containing ferrocene and their applications. We categorized such systems into three families of MLGs: long-chain molecules (oligomers or polymers) that incorporate ferrocene, medium-sized molecules that incorporate ferrocene, and systems where ferrocene or its derivatives are used as external additives. Furthermore, MLGs including metal cations without the ferrocene moiety are briefly presented, while computational methodologies for an accurate theoretical study of MLG, including metal cations, are suggested. Finally, future perspectives of MLGs containing ferrocene and their applications are also presented.
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(This article belongs to the Special Issue Research on Ferrocene and Ferrocene-Containing Compounds)
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Open AccessCommunication
Recovery of Ni-Co-Mn Oxides from End-of-Life Lithium-Ion Batteries for the Application of a Negative Temperature Coefficient Sensor
by
Sungwook Mhin
Inorganics 2024, 12(4), 105; https://doi.org/10.3390/inorganics12040105 - 05 Apr 2024
Abstract
This study demonstrates the current advancements in battery management systems (BMSs), emphasizing the need for precise temperature monitoring within battery packs to enhance safety and performance through efficient thermal management. The increased demand for lithium-ion batteries (LIBs) has driven the development of temperature
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This study demonstrates the current advancements in battery management systems (BMSs), emphasizing the need for precise temperature monitoring within battery packs to enhance safety and performance through efficient thermal management. The increased demand for lithium-ion batteries (LIBs) has driven the development of temperature sensors with improved accuracy and stability. In particular, Ni-Co-Mn-based spinel oxides are commonly used due to their stable negative temperature coefficient (NTC) behavior. However, challenges arise in manufacturing due to the high cost and uncertain supply of critical cathode components (e.g., Co, Ni, and Mn) for LIBs. This research focuses on developing spinel-type (Ni0.6Co0.4Mn2)O4 using recycled Ni-Co-Mn oxides obtained from end-of-life (EOL) LIBs, demonstrating temperature resistance behavior suitable for temperature sensing. The oxides are prepared through hydrometallurgy, oxalate synthesis, and post-heat treatment. Successful integration into spinel-type NTC thermistors suggests broader applications in various industrial fields. A systematic investigation into the synthesis and characterization of recovered Ni-Co-Mn oxides from EOL LIB cathode materials (Li(Ni0.33Co0.33Mn0.33)O2) is presented for NTC thermistor application. Thermogravimetric analysis-derivative thermogravimetry (TGA-DTG) identifies the optimal post-heat treatment temperature. The X-ray diffraction (XRD) patterns confirm a cubic spinel structure of the Ni-Co-Mn oxides, supported by scanning electron microscope (SEM) images showing a uniform microstructure. Also, energy dispersive X-ray spectroscopy (EDS) mapping confirms homogeneous element distribution. Recovered oxide pellets from the sintering process exhibit a single spinel structure, with X-ray photoelectron spectroscopy (XPS) analysis revealing changes in the valence states for Ni and Mn. Resistivity measurements demonstrate semiconductive behavior, which shows a B value (3376.92 K) suitable for NTC thermistor applications. This study contributes valuable insights to black powder recycling from EOL LIBs and its potential in temperature-sensitive electronic devices.
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(This article belongs to the Special Issue Recent Advances in Energy Storage and Conversion)
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Open AccessArticle
On the Interaction between PEDOT:PSS Dispersions and Aluminium Electrodes for Solid State Electrolytic Capacitors
by
Néstor Calabia Gascón, Reynier I. Revilla, Benny Wouters, Herman Terryn and Annick Hubin
Inorganics 2024, 12(4), 104; https://doi.org/10.3390/inorganics12040104 - 05 Apr 2024
Abstract
The use of conductive polymers in aluminium electrolytic capacitors prevents leakage and enlarges the temperature use range when compared with their liquid counterparts. PEDOT:PSS is an outstanding candidate due to its tunable properties, i.e., electronic conductivity (10−5 to 103 S/cm), and
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The use of conductive polymers in aluminium electrolytic capacitors prevents leakage and enlarges the temperature use range when compared with their liquid counterparts. PEDOT:PSS is an outstanding candidate due to its tunable properties, i.e., electronic conductivity (10−5 to 103 S/cm), and its high thermal stability. As a result of their synthesis, PEDOT:PSS dispersions are characterized by a low pH value, which can influence pH sensitive materials such as aluminium. However, no work to date has studied the interaction between PEDOT:PSS dispersions and aluminium oxide substrates. In this work, the interface and interaction between PEDOT:PSS and an aluminium electrode were studied for the first time via odd random phase electrochemical impedance spectroscopy and analysed post mortem by SEM and AFM characterization. PEDOT:PSS dispersions at different pH values (1.9, 4.9, 5.8) were applied in a layered manner onto a non-etched aluminium substrate with a grown oxide layer on top, which provided a model system for the analysis of the interface. The analysis showed that the acidic PEDOT:PSS dispersions attacked the aluminium substrate, forming pores on the surface, but had a positive impact on the capacitance of the aluminium oxide/PEDOT:PSS systems. On the other hand, neutral dispersions did not affect the aluminium electrode, but showed poor layer formation properties, and the electrochemical analysis displayed a dispersion of results ranging from capacitive to resistive behaviour.
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(This article belongs to the Special Issue Recent Advances in Energy Storage and Conversion)
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Effect of Multiple Doping Elements on Polarity Switching of Polycrystalline SnSe Semiconductor
by
František Mihok, Gabriela Hricková, Viktor Puchý, Juraj Szabó, Beáta Ballóková, Róbert Džunda and Karel Saksl
Inorganics 2024, 12(4), 103; https://doi.org/10.3390/inorganics12040103 - 05 Apr 2024
Abstract
Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal
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Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal expansion rates. Previous studies have demonstrated that the semiconductor polarity of SnSe alloys can be altered through Sb or Bi doping. This paper outlines a modified, scalable and cost-effective direct synthesis process for SnSe alloys, employing Sb, Bi, Ag, Ni, In and Mg as dopants. Polarity switching in the synthesized materials was observed with Bi doping, occurring in similar regions as observed with monocrystalline Sb. Additionally, In doping led to a significant increase in the Seebeck coefficient. Doping elements exhibited minimal influence on the crystal lattice of the material, with only minor shifts in lattice parameters noted. Crystallography analysis revealed a significant preferred orientation, consistent with the material’s documented propensity to form and align in layers, a characteristic observable even to the naked eye and confirmed through optical and electron microscopy. Furthermore, we have developed and thoroughly calibrated an in-house apparatus for determining the Seebeck coefficient of thermoelectric materials, based on the already published methodology, which describes a method for determining the electrical conductivity of disk- and rod-shaped samples.
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(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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Room-Temperature Entanglement of the Nickel-Radical Molecular Complex (Et3NH)[Ni(hfac)2L] Reinforced by the Magnetic Field
by
Jozef Strečka and Elham Shahhosseini Shahrabadi
Inorganics 2024, 12(4), 102; https://doi.org/10.3390/inorganics12040102 - 31 Mar 2024
Abstract
Bipartite entanglement is comprehensively investigated in the mononuclear molecular complex (Et3NH)[Ni(hfac)2L], where HL denotes 2-(2-hydroxy-3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl and hfacH stands for hexafluoroacetylacetone. From the magnetic point of view, the molecular compound (Et3NH)[Ni(hfac)2L] consists of an exchange-coupled spin-1
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Bipartite entanglement is comprehensively investigated in the mononuclear molecular complex (Et3NH)[Ni(hfac)2L], where HL denotes 2-(2-hydroxy-3-methoxy-5-nitrophenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl and hfacH stands for hexafluoroacetylacetone. From the magnetic point of view, the molecular compound (Et3NH)[Ni(hfac)2L] consists of an exchange-coupled spin-1 Ni2+ magnetic ion and a spin- nitronyl-nitroxide radical substituted nitrophenol. The nickel-radical molecular complex affords an experimental realization of a mixed spin-( , 1) Heisenberg dimer with a strong antiferromagnetic exchange coupling, J/ = 505 K, and two distinct g-factors, gRad = 2.005 and gNi = 2.275. By adopting this set of magnetic parameters, we demonstrate that the Zeeman splitting of a quantum ferrimagnetic ground-state doublet due to a weak magnetic field may substantially reinforce the strength of bipartite entanglement at low temperatures. The molecular compound (Et3NH)[Ni(hfac)2L] maintains sufficiently strong thermal entanglement, even at room temperature, vanishing only above 546 K. Specifically, the thermal entanglement in the nickel-radical molecular complex retains approximately 40% of the maximum value, corresponding to perfectly entangled Bell states at room temperature, which implies that this magnetic compound provides a suitable platform of a molecular qubit with potential implications for room-temperature quantum computation and quantum information processing.
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(This article belongs to the Special Issue Magnetic Materials and Their Applications)
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Regulatory and Sensing Iron–Sulfur Clusters: New Insights and Unanswered Questions
by
Anna M. SantaMaria and Tracey A. Rouault
Inorganics 2024, 12(4), 101; https://doi.org/10.3390/inorganics12040101 - 30 Mar 2024
Abstract
Iron is an essential nutrient and necessary for biological functions from DNA replication and repair to transcriptional regulation, mitochondrial respiration, electron transfer, oxygen transport, photosynthesis, enzymatic catalysis, and nitrogen fixation. However, due to iron’s propensity to generate toxic radicals which can cause damage
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Iron is an essential nutrient and necessary for biological functions from DNA replication and repair to transcriptional regulation, mitochondrial respiration, electron transfer, oxygen transport, photosynthesis, enzymatic catalysis, and nitrogen fixation. However, due to iron’s propensity to generate toxic radicals which can cause damage to DNA, proteins, and lipids, multiple processes regulate the uptake and distribution of iron in living systems. Understanding how intracellular iron metabolism is optimized and how iron is utilized to regulate other intracellular processes is important to our overall understanding of a multitude of biological processes. One of the tools that the cell utilizes to regulate a multitude of functions is the ligation of the iron–sulfur (Fe-S) cluster cofactor. Fe-S clusters comprised of iron and inorganic sulfur are ancient components of living matter on earth that are integral for physiological function in all domains of life. FeS clusters that function as biological sensors have been implicated in a diverse group of life from mammals to bacteria, fungi, plants, and archaea. Here, we will explore the ways in which cells and organisms utilize Fe-S clusters to sense changes in their intracellular environment and restore equilibrium.
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(This article belongs to the Special Issue Iron-Sulfur Clusters: Assembly and Biological Roles)
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