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Inorganics, Volume 11, Issue 12 (December 2023) – 37 articles

Cover Story (view full-size image): A rapid synthesis method is used to form multivariate metal–organic frameworks with the UiO-66 structure, where precipitation occurs upon mixing solutions of ligands and metal salts at temperatures less than 60 °C. The materials include mixtures of metals and ligands and show effective photocatalytic degradation of cationic and anionic dyes under UV and visible light with recyclability and photostability. View this paper
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17 pages, 5717 KiB  
Article
Modification of Graphite/SiO2 Film Electrodes with Hybrid Organic–Inorganic Perovskites for the Detection of Vasoconstrictor Bisartan 4-Butyl-Ν,Ν-bis{[2-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}imidazolium Bromide
Inorganics 2023, 11(12), 485; https://doi.org/10.3390/inorganics11120485 - 18 Dec 2023
Viewed by 1080
Abstract
In the present work, a hybrid organic–inorganic semiconductor (HOIS) has been used to modify the surface of a graphite paste/silica (G–SiO2) film electrode on a conducting glass substrate to fabricate a promising, sensitive voltammetric sensor for the vasoconstrictor bisartan BV6, which [...] Read more.
In the present work, a hybrid organic–inorganic semiconductor (HOIS) has been used to modify the surface of a graphite paste/silica (G–SiO2) film electrode on a conducting glass substrate to fabricate a promising, sensitive voltammetric sensor for the vasoconstrictor bisartan BV6, which could possibly treat hypertension and COVID-19. The HOIS exhibits exceptional optoelectronic properties with promising applications not only in light-emitting diodes, lasers, or photovoltaics but also for the development of voltammetric sensors due to the ability of the immobilized HOIS lattice to interact with ions. This study involves the synthesis and characterization of an HOIS and its attachment on the surface of a G–SiO2 film electrode in order to develop a nanocomposite, simple, sensitive with a fast-response, low-cost voltammetric sensor for BV6. The modified HOIS electrode was characterized using X-ray diffraction, scanning electron microscopy, and optical and photoluminescence spectroscopy, and its electrochemical behavior was examined using cyclic voltammetry. Under optimal conditions, the modified G–SiO2 film electrode exhibited a higher electrocatalytic activity towards the oxidation of BV6 compared to a bare graphite paste electrode. The results showed that the peak current was proportional to BV6 concentration with a linear response range from 0 to 65 × 10−6 (coefficient of determination, 0.9767) and with a low detection limit of 1.5 × 10−6 M (S/N = 3), estimated based on the area under a voltammogram, while it was 3.5 × 10−6 for peak-based analysis. The sensor demonstrated good stability and reproducibility and was found to be appropriate for the determination of drug compounds such as BV6. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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35 pages, 21805 KiB  
Review
Morphological Dependence of Metal Oxide Photocatalysts for Dye Degradation
Inorganics 2023, 11(12), 484; https://doi.org/10.3390/inorganics11120484 - 18 Dec 2023
Viewed by 1203
Abstract
There is no doubt that organic dyes currently play an indispensable role in our daily life; they are used in products such as furniture, textiles, and leather accessories. However, the main problems related to the widespread use of these dyes are their toxicity [...] Read more.
There is no doubt that organic dyes currently play an indispensable role in our daily life; they are used in products such as furniture, textiles, and leather accessories. However, the main problems related to the widespread use of these dyes are their toxicity and non-biodegradable nature, which mainly are responsible for various environmental risks and threaten human life. Therefore, the elimination of these toxic materials from aqueous media is highly recommended to save freshwater resources, as well as our health and environment. Heterogeneous photocatalysis is a potential technique for dye degradation, in which a photocatalyst is used to absorb light (UV or visible) and produce electron–hole pairs that enable the reaction participants to undergo chemical changes. In the past, various metal oxides have been successfully applied as promising photocatalysts for the degradation of dyes and various organic pollutants due to their wide bandgap, optical, and electronic properties, in addition to their low cost, high abundance, and chemical stability in aqueous solutions. Various parameters play critical roles in the total performance of the photocatalyst during the photocatalytic degradation of dyes, including morphology, which is a critical factor in the overall degradation process. In our article, the recent progress on the morphological dependence of photocatalysts will be reviewed. Full article
(This article belongs to the Special Issue New Advances into Nanostructured Oxides, 2nd Edition)
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16 pages, 728 KiB  
Review
Emerging Nanomaterials Biosensors in Breathalyzers for Detection of COVID-19: Future Prospects
Inorganics 2023, 11(12), 483; https://doi.org/10.3390/inorganics11120483 - 18 Dec 2023
Cited by 1 | Viewed by 1038
Abstract
In recent times, the global landscape of disease detection and monitoring has been profoundly influenced by the convergence of nanotechnology and biosensing techniques. Biosensors have enormous potential to monitor human health, with flexible or wearable variants, through monitoring of biomarkers in clinical and [...] Read more.
In recent times, the global landscape of disease detection and monitoring has been profoundly influenced by the convergence of nanotechnology and biosensing techniques. Biosensors have enormous potential to monitor human health, with flexible or wearable variants, through monitoring of biomarkers in clinical and biological behaviors and applications related to health and disease, with increasing biorecognition, sensitivity, selectivity, and accuracy. The emergence of nanomaterial-based biosensors has ushered in a new era of rapid and sensitive diagnostic tools, offering unparalleled capabilities in the realm of disease identification. Even after the declaration of the end of the COVID-19 pandemic, the demand for efficient and accessible diagnostic methodologies has grown exponentially. In response, the integration of nanomaterial biosensors into breathalyzer devices has gained considerable attention as a promising avenue for low-cost, non-invasive, and early detection of COVID-19. This review delves into the forefront of scientific advancements, exploring the potential of emerging nanomaterial biosensors within breathalyzers to revolutionize the landscape of COVID-19 detection, providing a comprehensive overview of their principles, applications, and implications. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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13 pages, 3336 KiB  
Article
Modulation of Ferrocene–Ferrocene Interactions by Varying Their Reciprocal Positions in L-Dap/Aib Helical Peptides
Inorganics 2023, 11(12), 482; https://doi.org/10.3390/inorganics11120482 - 16 Dec 2023
Viewed by 914
Abstract
In this work, we developed two new polyfunctional hybrid systems in which the presence of Fc redox “antennas” on peptide scaffolds allows for a modulation of their electronic properties. Specifically, we synthesized two helical hexapeptides containing four Aib (α-amionoisobutyric acid) and two L [...] Read more.
In this work, we developed two new polyfunctional hybrid systems in which the presence of Fc redox “antennas” on peptide scaffolds allows for a modulation of their electronic properties. Specifically, we synthesized two helical hexapeptides containing four Aib (α-amionoisobutyric acid) and two L-Dap (2,3-diamino propionic acid) residues. L-Dap side chains were then functionalized with Fc moieties. The structures of the two 310 helical peptides, namely Z-Aib-L-Dap(Fc)-Aib-Aib-L-Dap(Fc)-Aib-NH-iPr and Z-Aib-L-Dap(Fc)-Aib-L-Dap(Fc)-Aib-Aib-NH-iPr, were investigated by X-ray diffraction, 2D-NMR, CD and IR spectroscopies. Due to the helical conformation, in Z-Aib-L-Dap(Fc)-Aib-Aib-L-Dap(Fc)-Aib-NH-iPr, the Fc groups are located on the same face of the helix, but in Z-Aib-L-Dap(Fc)-Aib-L-Dap(Fc)-Aib-Aib-NH-iPr, they are located on opposite faces. Surprisingly, two bands were found through DPV for Z-Aib-L-Dap(Fc)-Aib-L-Dap(Fc)-Aib-Aib-NH-iPr, indicating an electrostatic interaction between the Fc groups despite their longer reciprocal distance with respect to that in Z-Aib-L-Dap(Fc)-Aib-Aib-L-Dap(Fc)-Aib-NH-iPr. CD experiments at different concentrations evidenced aggregation for Z-Aib-L-Dap(Fc)-Aib-L-Dap(Fc)-Aib-Aib-NH-iPr, even at high dilutions, thus suggesting that the Fc-Fc electrostatic interaction could be of an intermolecular nature. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Organometallic Chemistry)
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12 pages, 3850 KiB  
Article
Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System
Inorganics 2023, 11(12), 481; https://doi.org/10.3390/inorganics11120481 (registering DOI) - 15 Dec 2023
Viewed by 1035
Abstract
Vanadium (IV) chalcogenide materials are of increasing interest for use in catalysis and energy conversion-related applications. Since no ternary compounds are yet known in the V–Se–Te system, we studied ternary VwSeyTe2−y (w = 1.10, 1.13; y [...] Read more.
Vanadium (IV) chalcogenide materials are of increasing interest for use in catalysis and energy conversion-related applications. Since no ternary compounds are yet known in the V–Se–Te system, we studied ternary VwSeyTe2−y (w = 1.10, 1.13; y = 0.42, 0.72) phases crystallizing in space group P3¯m1 (no. 164). Two single-crystal specimens with differing compositions of a solid solution were obtained using the ceramic method. All products were characterized by either single-crystal or powder X-ray diffraction. The lattice parameters increase with rising tellurium content in accordance with the larger ionic radius of the tellurium anion compared to selenium. The chemical compositions were confirmed by energy-dispersive X-ray spectroscopy. Furthermore, magnetic measurements mostly revealed antiferromagnetic properties. Simultaneous differential scanning calorimetry/thermogravimetric analyses in a nitrogen atmosphere showed endothermic decomposition accompanied by the formation of VN. The decomposition of VSe and VTe was observed in an argon atmosphere. The results of this work can serve as a basis for the synthesis of new phases in the V–Se–Te and related vanadium chalcogenide systems. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Solid State Chemistry)
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12 pages, 5086 KiB  
Article
Alternative Synthesis of MCM-41 Using Inexpensive Precursors for CO2 Capture
Inorganics 2023, 11(12), 480; https://doi.org/10.3390/inorganics11120480 - 14 Dec 2023
Viewed by 971
Abstract
We explore the use of industrial sources of silicon and surfactant for obtaining low-cost MCM-41 materials and evaluate their performances as CO2 adsorbents. All of them presented a high specific surface area with different structural characteristics and textural properties. Interestingly, the MCM-41 [...] Read more.
We explore the use of industrial sources of silicon and surfactant for obtaining low-cost MCM-41 materials and evaluate their performances as CO2 adsorbents. All of them presented a high specific surface area with different structural characteristics and textural properties. Interestingly, the MCM-41 manufactured with the most economical reagents presented a SBET of 1602 m2·g−1. The template was removed by using thermal treatments in an air atmosphere or a washing process. Preservation of silanol groups proved to be more effective under washing or mild thermal treatment conditions with the advantage of their lower cost and environmental benefit. Surface reactivity against CO2 was enhanced by anchoring APTS to silanol groups through wet grafting. All amino-functionalized materials showed a performance as CO2 adsorbents comparable to those reported in the literature, reaching values close to 30 cm3·g−1 at 25 °C and 760 mmHg. Samples with a higher concentration of silanol groups showed better performance. Our studies indicate that adsorbed CO2 is retained at least up to 50 °C, and the CO2 is chemisorbed on the silica modified with amine groups. The chemisorbed gas at very low pressures points to the potential use of these materials for CO2 storage. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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11 pages, 3644 KiB  
Article
Entropy-Enthalpy Compensation in Ti-V-Mn-Cr BCC Alloys Used as Hydrogen Storage Materials
Inorganics 2023, 11(12), 479; https://doi.org/10.3390/inorganics11120479 - 14 Dec 2023
Viewed by 934
Abstract
In this paper, we report the effect of the Cr/Mn ratio on the thermodynamic properties of Ti30V60Mn(10−x)Crx (x = 0, 3.3, 6.6 and 10) + 4 wt.% Zr alloys. It was found that the enthalpy and [...] Read more.
In this paper, we report the effect of the Cr/Mn ratio on the thermodynamic properties of Ti30V60Mn(10−x)Crx (x = 0, 3.3, 6.6 and 10) + 4 wt.% Zr alloys. It was found that the enthalpy and entropy change with the Cr/MN ratio and that the entropy and entropy variation is coupled in an enthalpy-entropy compensation fashion. Using a compensation quality factor, it was established that the enthalpy-entropy compensation is not due to a statistical origin, with a confidence of more than 95%. Full article
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12 pages, 2090 KiB  
Article
Nb2S4(CS2NH2)4—A New Precursor for NbS2 and Its Transition Metal Inserted Derivatives
Inorganics 2023, 11(12), 478; https://doi.org/10.3390/inorganics11120478 - 14 Dec 2023
Viewed by 890
Abstract
Transition metal inserted NbS2 (TxNbS2) compounds receive great attention due to their intriguing and diverse magnetic and electric transport properties. Typically, these compounds are prepared by high-temperature synthesis from the elements, which is time and energy-consuming and yields [...] Read more.
Transition metal inserted NbS2 (TxNbS2) compounds receive great attention due to their intriguing and diverse magnetic and electric transport properties. Typically, these compounds are prepared by high-temperature synthesis from the elements, which is time and energy-consuming and yields highly crystalline products. So far, no route for preparing these compounds from precursors by thermal decomposition has been reported. Herein, we report the synthesis of a dithiocarbamate of niobium Nb2S4(CS2NH2)4 as a precursor for the synthesis of NbS2 by this preparative strategy. Furthermore, we demonstrate that a co-decomposition with dithiocarbamates of transition metals (here, Co and Pd) is a viable route for the synthesis of TxNbS2-type compounds. This is a promising route for the exploration of these compounds’ properties in the form of, e.g., nanocrystalline or thin film samples. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Solid State Chemistry)
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20 pages, 4281 KiB  
Article
Combination of Multiple Operando and In-Situ Characterization Techniques in a Single Cluster System for Atomic Layer Deposition: Unraveling the Early Stages of Growth of Ultrathin Al2O3 Films on Metallic Ti Substrates
Inorganics 2023, 11(12), 477; https://doi.org/10.3390/inorganics11120477 - 14 Dec 2023
Viewed by 1091
Abstract
This work presents a new ultra-high vacuum cluster tool to perform systematic studies of the early growth stages of atomic layer deposited (ALD) ultrathin films following a surface science approach. By combining operando (spectroscopic ellipsometry and quadrupole mass spectrometry) and in situ (X-ray [...] Read more.
This work presents a new ultra-high vacuum cluster tool to perform systematic studies of the early growth stages of atomic layer deposited (ALD) ultrathin films following a surface science approach. By combining operando (spectroscopic ellipsometry and quadrupole mass spectrometry) and in situ (X-ray photoelectron spectroscopy) characterization techniques, the cluster allows us to follow the evolution of substrate, film, and reaction intermediates as a function of the total number of ALD cycles, as well as perform a constant diagnosis and evaluation of the ALD process, detecting possible malfunctions that could affect the growth, reproducibility, and conclusions derived from data analysis. The homemade ALD reactor allows the use of multiple precursors and oxidants and its operation under pump and flow-type modes. To illustrate our experimental approach, we revisit the well-known thermal ALD growth of Al2O3 using trimethylaluminum and water. We deeply discuss the role of the metallic Ti thin film substrate at room temperature and 200 °C, highlighting the differences between the heterodeposition (<10 cycles) and the homodeposition (>10 cycles) growth regimes at both conditions. This surface science approach will benefit our understanding of the ALD process, paving the way toward more efficient and controllable manufacturing processes. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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8 pages, 256 KiB  
Editorial
State-of-the-Art and Progress in Metal-Hydrogen Systems
Inorganics 2023, 11(12), 476; https://doi.org/10.3390/inorganics11120476 - 11 Dec 2023
Viewed by 1025
Abstract
Hydrogen is heralded as a future global energy carrier [...] Full article
(This article belongs to the Special Issue State-of-the-Art and Progress in Metal-Hydrogen Systems)
21 pages, 2619 KiB  
Review
The Cryptic Nature of Fe-S Clusters: A Case Study of the Hepatitis B HBx Oncoprotein
Inorganics 2023, 11(12), 475; https://doi.org/10.3390/inorganics11120475 - 06 Dec 2023
Viewed by 1300
Abstract
Fe-S clusters are ubiquitous inorganic cofactors found in proteins across all domains of life, including viruses. Their prevalence stems from their unique redox and structural plasticity that supports functions ranging from electron transfer and catalysis to stabilization of protein structure. Although the ability [...] Read more.
Fe-S clusters are ubiquitous inorganic cofactors found in proteins across all domains of life, including viruses. Their prevalence stems from their unique redox and structural plasticity that supports functions ranging from electron transfer and catalysis to stabilization of protein structure. Although the ability of Fe-S clusters to exchange electrons is often functionally crucial, it can also act as an Achilles heel when these cofactors are exposed to oxidizing conditions, often leading to their degradation. This O2 sensitivity has rendered certain Fe-S clusters untraceable, particularly when the nascent proteins are isolated under ambient conditions. As a consequence of this O2 sensitivity, a growing number of proteins with roles in viral infection have been found to harbor Fe-S clusters rather than the annotated Zn2+ cofactor. The enigmatic protein X (HBx) of the Hepatitis B Virus is a multifunctional protein essential for viral replication and development of liver disease. Although HBx has defied biochemical characterization for over forty years, it has been shown to coordinate a redox-active Fe-S cluster that represents a significant feature for establishing its molecular function. The present review narrates the approaches to validate the HBx metallocofactor that can be broadly applied as a guide for uncovering the presence of Fe-S clusters in proteins with non-canonical sequence motifs. Full article
(This article belongs to the Special Issue Iron-Sulfur Clusters: Assembly and Biological Roles)
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16 pages, 3845 KiB  
Article
A Single-Stack Output Power Prediction Method for High-Power, Multi-Stack SOFC System Requirements
Inorganics 2023, 11(12), 474; https://doi.org/10.3390/inorganics11120474 - 06 Dec 2023
Viewed by 985
Abstract
The prediction of stack output power in solid oxide fuel cell (SOFC) systems is a key technology that urgently needs improvement, which will promote SOFC systems towards high-power multi-stack applications. The accuracy of power prediction directly determines the control effect and working condition [...] Read more.
The prediction of stack output power in solid oxide fuel cell (SOFC) systems is a key technology that urgently needs improvement, which will promote SOFC systems towards high-power multi-stack applications. The accuracy of power prediction directly determines the control effect and working condition recognition accuracy of the SOFC system controller. In order to achieve this goal, a genetic algorithm back propagation (GA-BP) neural network is constructed to predict output power in the SOFC system. By testing 40 sets of sample data collected from the experimental platform, it is found that the GA-BP method overcomes the limitation of the traditional back propagation (BP) method—falling into local optima. Further analysis shows that the average relative error of GA-BP has decreased to 1%. The reduction of the relative error improves the accuracy of the prediction results and the average prediction accuracy. Compared with the long short-term memory (LSTM) and BP algorithm, the GA-BP prediction model significantly reduces the relative error of power output prediction, which provides a solid foundation for multi-stack SOFC systems. Full article
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23 pages, 5405 KiB  
Article
The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene
Inorganics 2023, 11(12), 473; https://doi.org/10.3390/inorganics11120473 - 05 Dec 2023
Viewed by 1061
Abstract
4-Azidopyridine (1) and SiCl4 react with the formation of the hexacoordinate silicon complex SiCl4(4-azidopyridine)2 (2). Upon dissolving in warm chloroform, the complex dissociates into the constituents 1 and SiCl4 and forms back upon cooling. [...] Read more.
4-Azidopyridine (1) and SiCl4 react with the formation of the hexacoordinate silicon complex SiCl4(4-azidopyridine)2 (2). Upon dissolving in warm chloroform, the complex dissociates into the constituents 1 and SiCl4 and forms back upon cooling. Depending on the cooling, two different crystalline modifications of 2 were obtained, which feature two different trans-conformers. Slow cooling to room temperature afforded conformer 2′, which features coplanar pyridine rings. Rapid cooling to −39 °C afforded crystals of conformer 2″, in which the planes of the pyridine ligands are nearly orthogonal to one another. Whereas 2′ resembles the molecular arrangement of various other known SiX4(pyridine)2 (X = halide) complexes, 2″ represents the first crystallographically confirmed example of a SiX4(pyridine)2 complex in this conformation. Conformers 2′ and 2″ were studied with 13C and 29Si solid state NMR spectroscopy. Their differences in 29Si chemical shift anisotropy, as well as energetic differences, were further investigated with computational analyses. In spite of the similar stabilities of the two conformers as isolated molecules, the crystal packing of 2″ is less stable, and its crystallization is interpreted as a kinetically controlled effect of seed formation. (3+2)-cycloaddition of 1 and phenylacetylene in toluene at 110 °C yields a mixture of 1-(4-pyridyl)-4-phenyl-1,2,3-triazole (1,4-3) and 1-(4-pyridyl)-5-phenyl-1,2,3-triazole (1,5-3) in approximate 1:2 molar ratio. The crystal structures of the two isomers were determined via X-ray diffraction. In chloroform (at 60 °C), this reaction is slow (less than 2% conversion within 4 h), but the presence of SiCl4 enhanced the rate of the reaction slightly, and it shifted the triazole isomer ratio to ca. 1:6 in favor of 1,5-3. Full article
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28 pages, 7851 KiB  
Review
Ferrocene-Based Electrochemical Sensors for Cations
Inorganics 2023, 11(12), 472; https://doi.org/10.3390/inorganics11120472 - 04 Dec 2023
Viewed by 1095
Abstract
This study investigates novel ferrocene-based electrochemical sensors for metal cation detection via the design, synthesis and characterisation of ferrocene derivatives. Specifically, this research determines the redox potentials of ferrocene versus decamethylferrocene to provide insight into the redox potential variations. The investigation also examines [...] Read more.
This study investigates novel ferrocene-based electrochemical sensors for metal cation detection via the design, synthesis and characterisation of ferrocene derivatives. Specifically, this research determines the redox potentials of ferrocene versus decamethylferrocene to provide insight into the redox potential variations. The investigation also examines how electrochemical oxidation of the ferrocene moiety can modulate host affinity for transition metal cations via effects such as electrostatic interactions and changes to coordination chemistry. Metal ion coordination to receptors containing functional groups like imine and quinoline is explored to elucidate selectivity mechanisms. These findings advance the fundamental understanding of ferrocene electrochemistry and host–guest interactions, supporting the development of improved cation sensors with optimised recognition properties, sensitivity and selectivity. Overall, this work lays the necessary groundwork for applications in analytical chemistry and sensor technologies via customised ferrocene-derived materials. Full article
(This article belongs to the Special Issue Research on Ferrocene and Ferrocene-Containing Compounds)
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21 pages, 3243 KiB  
Article
Hexafluoroisopropylboranes and -Borates
Inorganics 2023, 11(12), 471; https://doi.org/10.3390/inorganics11120471 - 04 Dec 2023
Viewed by 1036
Abstract
Novel hexafluoroisopropylboranes (CF3)(CF2H)CFBH2·L and -borate anions [(CF3)(CF2H)CFBH2X] with Lewis basic heterocyclic ligands L and the anionic substituents X = F and CN were obtained. The syntheses [...] Read more.
Novel hexafluoroisopropylboranes (CF3)(CF2H)CFBH2·L and -borate anions [(CF3)(CF2H)CFBH2X] with Lewis basic heterocyclic ligands L and the anionic substituents X = F and CN were obtained. The syntheses were accomplished by substitution reactions of the dimethyl sulfide adduct (CF3)(CF2H)CFBH2·SMe2, which was synthesized on a large scale. The hexafluoroisopropylboranes and -borates were characterized by NMR and vibrational spectroscopy, elemental analysis, and single-crystal X-ray diffraction. In addition, the thermal and electrochemical stabilities were investigated by DSC measurements and cyclic voltammetry and selected experimental data and trends are compared with theoretical ones. Full article
(This article belongs to the Special Issue Boron Chemistry: Fundamentals and Applications)
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15 pages, 2263 KiB  
Article
Microwave-Mediated Synthesis and Characterization of Ca(OH)2 Nanoparticles Destined for Geraniol Encapsulation
Inorganics 2023, 11(12), 470; https://doi.org/10.3390/inorganics11120470 - 02 Dec 2023
Viewed by 1301
Abstract
Nanotechnology presents promising opportunities for enhancing pest management strategies, particularly in protecting active ingredients to prolong their shelf life and effectiveness. Among different approaches, the combination of inorganic nanoparticles with active ingredients such as the main constituents of natural essential oils in one [...] Read more.
Nanotechnology presents promising opportunities for enhancing pest management strategies, particularly in protecting active ingredients to prolong their shelf life and effectiveness. Among different approaches, the combination of inorganic nanoparticles with active ingredients such as the main constituents of natural essential oils in one nanoarchitecture is challenging. In this study, hydrophobic calcium hydroxide nanoparticles coated with oleylamime [Ca(OH)2@OAm NPs] were synthesized using microwave-assisted synthesis. These primary NPs were physicochemically characterized and subsequently utilized to prepare nanocapsules (NCs) either alone (Ca NCs) and/or in combination with geraniol at different ratios of Ca(OH)2@OAm NPs and geraniol, i.e. 1:1 (CaGer1 NCs), 1:2 (CaGer2 NCs), and 1:3 (CaGer3 NCs), respectively. Among the formulations, the CaGer2 NCs demonstrated higher encapsulation efficiency (EE) and loading capacity (LC) of 95% and 20%, correspondingly. They exhibited a hydrodynamic size of 306 nm, a ζ-potential of −35 mV, and a monodisperse distribution. Release kinetics of geraniol from CaGer2 NCs indicated a pH-dependent slow release over 96 h at both 25 °C and 35 °C. In vitro antifungal assay against B. cinerea revealed a concentration-dependent activity, and the EC50 values for Ca(OH)2@OAm NPs, Ca NCs, and CaGer2 NCs were estimated to be 654 µg/mL, 395 µg/mL, and 507 µg/mL, respectively. These results underscore the potential of Ca-based nanoformulations to control plant pathogens, suggesting that while Ca NCs showcase potent antifungal attributes, the different architectures/structures play a critical role in the antifungal effectiveness of the nanoformulations that have to be explored further. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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15 pages, 5332 KiB  
Article
Gd2O3 Doped UO2(s) Corrosion in the Presence of Silicate and Calcium under Alkaline Conditions
Inorganics 2023, 11(12), 469; https://doi.org/10.3390/inorganics11120469 - 01 Dec 2023
Viewed by 901
Abstract
The anodic reactivity of UO2 and UO2 doped with Gd2O3 was investigated by electrochemical methods in slightly alkaline conditions in the presence of silicate and calcium. At the end of the experiments, the electrodes were analysed by X-ray [...] Read more.
The anodic reactivity of UO2 and UO2 doped with Gd2O3 was investigated by electrochemical methods in slightly alkaline conditions in the presence of silicate and calcium. At the end of the experiments, the electrodes were analysed by X-ray photoelectron spectroscopy to determine the oxidation state of the uranium on the surface. The experiments showed that the increase in gadolinia doping level led to a reduction in the reactivity of UO2, this effect being more marked at the highest doping level studied (10 wt.% Gd2O3). This behaviour could be attributed to the formation of dopant-vacancy clusters (GdIII-Ov), which could limit the accommodation of excess O2− into the UO2 lattice. In addition, the presence of Ca2+ and SiO32− decreased the anodic dissolution of UO2. In summary, the Gd2O3 doping in presence of silicate and calcium was found to strongly decrease the oxidative dissolution of UO2, which is a beneficial situation regarding the long-term management of spent nuclear fuel in a repository. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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20 pages, 9833 KiB  
Article
A Computational Chemistry Investigation of the Influence of Steric Bulk of Dithiocarbamato-Bound Organic Substituents upon Spodium Bonding in Three Homoleptic Mercury(II) Bis(N,N-dialkyldithiocarbamato) Compounds for Alkyl = Ethyl, Isobutyl, and Cyclohexyl
Inorganics 2023, 11(12), 468; https://doi.org/10.3390/inorganics11120468 - 01 Dec 2023
Cited by 1 | Viewed by 973
Abstract
Three homoleptic Hg(S2CNR2)2, for R = ethyl (1), isobutyl (2), and cyclohexyl (3), compounds apparently exhibit a steric-dependent supramolecular association in their crystals. The small group in 1 allows for dimer [...] Read more.
Three homoleptic Hg(S2CNR2)2, for R = ethyl (1), isobutyl (2), and cyclohexyl (3), compounds apparently exhibit a steric-dependent supramolecular association in their crystals. The small group in 1 allows for dimer formation via covalent Hg–S interactions through an eight-membered {–HgSCS}2 ring as the dithiocarbamato ligands bridge centrosymmetrically related Hg atoms; intradimer Hg···S interactions are noted. By contrast, centrosymmetrically related molecules in 2 are aligned to enable intermolecular Hg···S interactions, but the separations greatly exceed the van der Waals radii. The large group in 3 precludes both dimerization and intermolecular Hg···S interactions. Computational chemistry indicates that the potential region at the Hg atom is highly dependent on the coordination geometry about the Hg atom. Intramolecular (1) and intermolecular (2) spodium bonding (SpB) is demonstrated. Even at separations approaching 0.4 Å beyond the sum of the assumed van der Waals radii, the energy of the stabilization afforded by the structure directs SpB in 2 amounts to approximately 2.5 kcal/mol. A natural bond orbital (NBO) analysis points to the importance of the LP(S) → σ*(Hg–S) charge transfer and to the dominance of the dispersion forces and electron correlation to the SpB in 2. Full article
(This article belongs to the Special Issue Non-covalent Interactions in Coordination Chemistry)
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14 pages, 3535 KiB  
Article
Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine
Inorganics 2023, 11(12), 467; https://doi.org/10.3390/inorganics11120467 - 01 Dec 2023
Viewed by 906
Abstract
A novel heteroleptic Ag(I) compound, formulated as [AgL(PPh3)]BF4 (1) (where L represents 2,9-bis((E)-4-methoxystyryl)-1,10-phenanthroline and PPh3 stands for triphenylphosphine), was successfully synthesized and thoroughly characterized. The compound’s stability in solution was confirmed through 1D and 2D nuclear magnetic resonance (NMR). [...] Read more.
A novel heteroleptic Ag(I) compound, formulated as [AgL(PPh3)]BF4 (1) (where L represents 2,9-bis((E)-4-methoxystyryl)-1,10-phenanthroline and PPh3 stands for triphenylphosphine), was successfully synthesized and thoroughly characterized. The compound’s stability in solution was confirmed through 1D and 2D nuclear magnetic resonance (NMR). The photo-irradiation of the complex in a CDCl3 solution, utilizing a common portable UV lamp emitting at λ = 365 nm, led to the partial transformation of the E,E-geometric isomer to E,Z, ultimately yielding a 1:1.4 molar ratio of isomers. Its molecular structure was determined via X-ray crystallography, while molecular packing was assessed using Hirshfeld calculations. The most notable interactions (51%) within the cationic inner sphere involved H···H bonds. The photophysical characteristics of the complex and L were evaluated both in the solid state and in solution (dichloromethane). Compound 1 is a weak emitter, with photoluminescence quantum yields of 8.6% and 4.3% in solution and the solid state, respectively. Full article
(This article belongs to the Section Coordination Chemistry)
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16 pages, 2999 KiB  
Article
Crystallographic Structure and Quantum-Chemical Analysis of Biologically Active Co(III)-Pyridoxal–Isothiosemicarbazone Complex
Inorganics 2023, 11(12), 466; https://doi.org/10.3390/inorganics11120466 - 01 Dec 2023
Cited by 1 | Viewed by 1150
Abstract
Semicarbazones and their transition metal complexes have been investigated as biologically active compounds. This study explores the synthesis, X-ray crystallographic structure, and characterization of a novel Co(III) complex cation with a pyridoxal-isothiosemicarbazone (PLITSC) ligand, [Co(PLITSC-2H)(NH3)3]+. The structure [...] Read more.
Semicarbazones and their transition metal complexes have been investigated as biologically active compounds. This study explores the synthesis, X-ray crystallographic structure, and characterization of a novel Co(III) complex cation with a pyridoxal-isothiosemicarbazone (PLITSC) ligand, [Co(PLITSC-2H)(NH3)3]+. The structure of the complex was further elucidated by the elemental analysis and spectroscopic techniques (IR and UV–VIS). Hirshfeld surface analysis was applied for the investigation of intermolecular interactions governing crystal structure. Optimization was performed at the B3LYP/6-31 + G(d,p)(H,C,N,O,S)/LanL2DZ(Co) level of theory without any geometrical constraints. The selected level of theory’s applicability was proven after comparing experimental and theoretical bond lengths and angles. The antibacterial activity of the complex towards E. coli and B. subtilis was determined and qualified as moderate compared to Streptomycin. The formation of free radical species in the presence of the complex was further verified in the fluorescence microscopy measurements. The molecular docking towards neural nitric-oxide synthase in the brain has shown that the complex structure and relative distribution of ligands were responsible for the binding to amino acids in the active pocket. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Coordination Chemistry)
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12 pages, 3886 KiB  
Article
RbEr2AsS7: A Rubidium-Containing Erbium Sulfide Thioarsenate(III) with (S2)2− Ligands According to RbEr2S(S2)[AsS2(S2)]
Inorganics 2023, 11(12), 465; https://doi.org/10.3390/inorganics11120465 - 01 Dec 2023
Viewed by 913
Abstract
The new rubidium-containing erbium sulfide thioarsenate(III) with the structured formula RbEr2S(S2)[AsS2(S2)] was obtained from the syntheses of elemental erbium (Er), arsenic sesquisulfide (As2S3) and rubidium sesquisulfide (Rb2S3) [...] Read more.
The new rubidium-containing erbium sulfide thioarsenate(III) with the structured formula RbEr2S(S2)[AsS2(S2)] was obtained from the syntheses of elemental erbium (Er), arsenic sesquisulfide (As2S3) and rubidium sesquisulfide (Rb2S3) with elemental sulfur (S) at 773 K as transparent, orange, needle-shaped crystals. RbEr2AsS7 crystallizes monoclinically in the space group C2/c with a = 2339.86(12) pm, b = 541.78(3) pm, c = 1686.71(9) pm and β = 93.109(3) ° for Z = 8. The crystal structure features complex [AsS2(S2)]3− anions with two S2− anions and a (S2)2− disulfide dumbbell coordinating end-on as ligands for each As3+ cation. Even outside the ligand sphere of As3+, S2− and (S2)2− can be found as sulfide anions. Two distinct Er3+ cations are surrounded by either nine or seven sulfur atoms. The [ErS9] polyhedra are corner- and face-connected, while the [ErS7] units share common edges, both building chains along [010]. These different chains undergo edge connectivity with each other, resulting in the formation of corrugated layers, which are held together by Rb+ in chains of condensed [RbS9] polyhedra. So, a three-dimensional network is generated, offering empty channels along [010] apt to take up the As3+ lone-pair cations. Wavelength-dispersive X-ray spectroscopy verified a molar Rb:Er:As:S ratio of approximately 1:2:1:7 and diffuse reflectance spectroscopy showed the typical ff transitions of Er3+, while the optical band gap was found to be 2.42 eV. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Solid State Chemistry)
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41 pages, 12406 KiB  
Review
Integration of CO2 Capture and Conversion by Employing Metal Oxides as Dual Function Materials: Recent Development and Future Outlook
Inorganics 2023, 11(12), 464; https://doi.org/10.3390/inorganics11120464 - 30 Nov 2023
Viewed by 1281
Abstract
To mitigate the effect of CO2 on climate change, significant efforts have been made in the past few decades to capture CO2, which can then be further sequestered or converted into value-added compounds, such as methanol and hydrocarbons, by using [...] Read more.
To mitigate the effect of CO2 on climate change, significant efforts have been made in the past few decades to capture CO2, which can then be further sequestered or converted into value-added compounds, such as methanol and hydrocarbons, by using thermochemical or electrocatalytic processes. However, CO2 capture and conversion have primarily been studied independently, resulting in individual processes that are highly energy-intensive and less economically viable due to high capital and operation costs. To enhance the overall process efficiency, integrating CO2 capture and conversion into a single system offers an opportunity for a more streamlined process that can reduce energy and capital costs. This strategy can be achieved by employing dual function materials (DFMs), which possess the unique capability to simultaneously adsorb and convert CO2. These materials combine basic metal oxides with active metal catalytic sites that enable both sorption and conversion functions. In this review paper, we focus on the recent strategies that utilize mixed metal oxides as DFMs. Their material design and characteristics, reaction mechanisms, as well as performance and limitations will be discussed. We will also address the challenges associated with this integrated system and attempt to provide insights for future research endeavors. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Materials)
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18 pages, 12159 KiB  
Article
Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases
Inorganics 2023, 11(12), 463; https://doi.org/10.3390/inorganics11120463 - 29 Nov 2023
Viewed by 1028
Abstract
Two complexes, related to the active site of [FeFe]-hydrogenases, [Fe2(CO)4(κ2-pma)(µ-bdt)] (1) and [Fe2(CO)4(κ2-pma)(µ-pdt)] (2) (bdt = benzene-1,2-dithiolate, pdt = propane-1,2-dithiolate) featuring [...] Read more.
Two complexes, related to the active site of [FeFe]-hydrogenases, [Fe2(CO)4(κ2-pma)(µ-bdt)] (1) and [Fe2(CO)4(κ2-pma)(µ-pdt)] (2) (bdt = benzene-1,2-dithiolate, pdt = propane-1,2-dithiolate) featuring the diaza chelate ligand trans-N-(2-pyridylmethylene)aniline (pma) were prepared, in order to study the influence of such a redox ligand, potentially non-innocent, on their redox behaviours. Both complexes were synthesized by photolysis in moderate yields, and they were characterized by IR, 1H and 13C{1H} NMR spectroscopies, elemental analyses and X-ray diffraction. Their electrochemical study by cyclic voltammetry, in the presence and in the absence of protons, revealed different behaviours depending on the aliphatic or aromatic nature of the dithiolate bridge. Density functional theory (DFT) calculations showed the role of the pma ligand as an electron reservoir, allowing the rationalization of the proton reduction process of complex 1. Full article
(This article belongs to the Special Issue Binuclear Complexes II)
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14 pages, 5509 KiB  
Article
Copper Oxide Nanoparticles Synthesized from Indigofera linnaei Ali and This Plant’s Biological Applications
Inorganics 2023, 11(12), 462; https://doi.org/10.3390/inorganics11120462 - 28 Nov 2023
Viewed by 1362
Abstract
The leaf extract of Indigofera linnaei Ali, an Indian medicinal plant, was utilized in the synthesis of copper oxide nanoparticles (CuO-NPs). Green chemistry is a safe and cost-effective method for the synthesis of nanoparticles using plant extracts. The synthesis of CuO NPs was [...] Read more.
The leaf extract of Indigofera linnaei Ali, an Indian medicinal plant, was utilized in the synthesis of copper oxide nanoparticles (CuO-NPs). Green chemistry is a safe and cost-effective method for the synthesis of nanoparticles using plant extracts. The synthesis of CuO NPs was confirmed using ultraviolet–visible (UV-visible) spectrum λ-max data with two peaks at 269 and 337 nm. Different functional groups were identified using Fourier-transform infrared spectroscopy (FT-IR). X-ray diffraction (XRD) was used to confirm the crystalline structure of the CuO-nanoparticles. Scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) analyses were performed to examine the surface morphology and elemental composition of the biosynthesized CuO-NPs. Furthermore, the synthesized CuO-NPs exhibited antibacterial activity against Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, and Enterococcus faecalis. Additionally, they exhibited a good insecticidal effect on Culex quinquefasciatus larvae, with low LC50 55.716 µg/mL and LC90 123.657 µg/mL values. The CuO-NPs inhibited human breast cancer cells in a concentration-dependent manner, with an IC50 value of 63.13 µg/mL. Full article
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12 pages, 2862 KiB  
Article
Study of the Cyanide Leaching of Gold from Low-Grade Raw Materials in the Presence of Amino Acids
Inorganics 2023, 11(12), 461; https://doi.org/10.3390/inorganics11120461 - 27 Nov 2023
Viewed by 1142
Abstract
The article discusses the interaction in amino acid–gold cyanide systems using amino acids of different structures. The formation of complex compounds of gold cyanide with amino acids with the participation of carboxyl and amino groups is shown. A relationship has been established between [...] Read more.
The article discusses the interaction in amino acid–gold cyanide systems using amino acids of different structures. The formation of complex compounds of gold cyanide with amino acids with the participation of carboxyl and amino groups is shown. A relationship has been established between the formation of gold complexes with amino acids and the degree of its extraction in the process of leaching from low-grade ore with sodium cyanide together with amino acids: the higher the degree of participation of the amino group in the formation of the complex, i.e., covalent bond, the more pronounced the effect of the amino acid on the degree of gold leaching. The contribution to the formation of the complex of the carboxyl group (ionic bond) and the amino group (covalent donor–acceptor) can be assessed by the intensity of the band at a wave number of 1419 cm−1 of the IR spectra of the systems: gold cyanide–amino acid. This approach makes it possible to predict the effect of amino acid structure on gold recovery during cyanide leaching based on IR spectra. Full article
(This article belongs to the Section Bioinorganic Chemistry)
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15 pages, 2125 KiB  
Article
Synthesis, Structural, and Quantum Chemical Analysis of Neutral and Cationic Ruthenium(II) Complexes with Nicotinate-Polyethylene Glycol Ester Ligands
Inorganics 2023, 11(12), 460; https://doi.org/10.3390/inorganics11120460 - 27 Nov 2023
Viewed by 999
Abstract
Ruthenium(II/III)-based compounds have gained significant interest due to the biocompatibility of ruthenium, its similarity to iron, and the possibility for structural diversification through the choice of ligands. In this contribution, two novel ligands, (2-(2-methoxyethoxy)ethyl nicotinate hydrochloride) and (2-[2-(2-methoxyethoxy)ethoxy]ethyl nicotinate hydrochloride) (pyCOO(CH2CH [...] Read more.
Ruthenium(II/III)-based compounds have gained significant interest due to the biocompatibility of ruthenium, its similarity to iron, and the possibility for structural diversification through the choice of ligands. In this contribution, two novel ligands, (2-(2-methoxyethoxy)ethyl nicotinate hydrochloride) and (2-[2-(2-methoxyethoxy)ethoxy]ethyl nicotinate hydrochloride) (pyCOO(CH2CH2O)nCH3: L2, n = 2; L3, n = 3), were synthesized and characterized via ESI-HRMS, as well as IR and NMR spectroscopies. Their structures were optimized at the B3LYP/6-311++G(d,p) level of theory, and NMR chemical shifts were predicted, along with the most important intramolecular interactions. Additionally, two neutral complexes of the general formula [RuCl26-p-cym) (LN)] (L = L2: 2; L3: 3) and two cationic complexes of the general formula [RuCl(η6-p-cym)(LN)2][PF6] (L = L1: 4; L2: 5) were obtained and characterized. The optimization of the structures was performed at the B3LYP/6-31+G(d,p)(H,C,N,O,Cl)/LanL2DZ(Ru) level of theory. Structural features were described, and intramolecular stabilization interactions were outlined. Full article
(This article belongs to the Section Coordination Chemistry)
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12 pages, 2501 KiB  
Article
Combined Effect of Halogenation and SiO2 Addition on the Li-Ion Conductivity of LiBH4
Inorganics 2023, 11(12), 459; https://doi.org/10.3390/inorganics11120459 - 26 Nov 2023
Viewed by 1043
Abstract
In this work, the combined effects of anion substitution (with Br and I) and SiO2 addition on the Li-ion conductivity in LiBH4 have been investigated. Hexagonal solid solutions with different compositions, h-Li(BH4)1−α(X)α [...] Read more.
In this work, the combined effects of anion substitution (with Br and I) and SiO2 addition on the Li-ion conductivity in LiBH4 have been investigated. Hexagonal solid solutions with different compositions, h-Li(BH4)1−α(X)α (X = Br, I), were prepared by ball milling and fully characterized. The most conductive composition for each system was then mixed with different amounts of SiO2 nanoparticles. If the amount of added complex hydride fully fills the original pore volume of the added silica, in both LiBH4-LiBr/SiO2 and LiBH4-LiI/SiO2 systems, the Li-ion conductivity was further increased compared to the h-Li(BH4)1−α(X)α solid solutions alone. The use of LiBH4-LiX instead of LiBH4 in composites with SiO2 enabled the development of an optimal conductive pathway for the Li ions, since the h-Li(BH4)1−α(X)α possesses a higher conductivity than LiBH4. In fact, the Li conductivity of the silica containing h-Li(BH4)1−α(X)α is higher than the maximum reached in LiBH4-SiO2 alone. Therefore, a synergetic effect of combining halogenation and interface engineering is demonstrated in this work. Full article
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16 pages, 13807 KiB  
Article
Positive Influence of Oxalate and Cyanate on the Supercapacitance Performance of V/Co 2D-Nanolayered Structures
Inorganics 2023, 11(12), 458; https://doi.org/10.3390/inorganics11120458 - 26 Nov 2023
Viewed by 1010
Abstract
Two-dimensional (2D) nanolayered and nanohybrid structures, which are composed of different species of organic anions and multi-valence inorganic cations, are considered favorable in the field of energy storage for use as supercapacitors. In this study, host–guest interactions were used to build a series [...] Read more.
Two-dimensional (2D) nanolayered and nanohybrid structures, which are composed of different species of organic anions and multi-valence inorganic cations, are considered favorable in the field of energy storage for use as supercapacitors. In this study, host–guest interactions were used to build a series of these nanohybrids. The host was the layered double hydroxides of vanadium–cobalt (V/Co) nanolayers with different molar ratios. Cyanate was used as a guest to design a V/Co supercapacitor with a 2D-nanolayered structure. In addition, oxalate was used as a new additive to improve the performance of the V/Co supercapacitor. X-ray diffraction, infrared spectroscopy, thermal analyses, and scanning electron microscopy confirmed the formation of the nanolayered structures of cyanate-V/Co. In the case of the oxalate-V/Co nanostructures, a new phase of cobalt oxalate was produced and combined with the nanolayered structure to build a 3D porous structure. A three-assembly electrode system was used to study the electrochemical supercapacitive behavior of the cyanate-V/Co and oxalate-V/Co nanolayered structures. The results indicated that the OXVC-20 electrode possessed the highest specific capacitance as compared to that of the OXVC-16 and CNOVC electrodes. An excellent stability performance of up to 91% after various charge–discharge cycles was detected for the optimum case. Because of the positive effect of oxalate on the supercapacitance performance of the V/Co supercapacitor, it is suggested as a new track for building active electrodes for high-performance supercapacitor applications. Full article
(This article belongs to the Special Issue Advanced Electrode Materials for Energy Storage Devices)
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12 pages, 2056 KiB  
Article
Solid Solutions LnxU1−xC2 with Ln = Tb, Dy, Ho, Tm, and Lu Showing Ideal Vegard Behavior
Inorganics 2023, 11(12), 457; https://doi.org/10.3390/inorganics11120457 - 25 Nov 2023
Viewed by 962
Abstract
The reaction of UO2 with the respective lanthanide metal and purified graphite in an arc-melting furnace led to the formation of solid solutions of the composition LnxU1−xC2, with Ln = Tb, Dy, Ho, Tm, and Lu. [...] Read more.
The reaction of UO2 with the respective lanthanide metal and purified graphite in an arc-melting furnace led to the formation of solid solutions of the composition LnxU1−xC2, with Ln = Tb, Dy, Ho, Tm, and Lu. They all crystallize in the tetragonal CaC2 type structure (I4/mmm, Z = 2). Elemental analyses of selected samples (EDX) confirm that the composition of the resulting solid solution is in reasonable agreement with the nominal (weighed-in) composition of the starting materials, i.e., a significant evaporation of the lanthanide metals during the arc-melting synthesis does not occur. The lattice parameters of the solid solutions were extracted using Le Bail fits of high-resolution synchrotron powder diffraction data (beamline P02.1, DESY, Hamburg, Germany; beamline BL 09, DELTA, Dortmund, Germany), revealing ideal Vegard behavior for all five solid solutions. XANES investigations on all compounds at the Ln-LIII and U-LIII edges reveal that the occupancies of the U-6d orbitals decrease with increasing x, whereas the occupancies of the Ln-5d orbitals increase, pointing to an electron transfer from the uranium to the lanthanide cations. Examination of the shifts of the absorption edge (E0) leads to the same finding. Full article
(This article belongs to the Special Issue 10th Anniversary of Inorganics: Inorganic Solid State Chemistry)
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15 pages, 7152 KiB  
Article
Porous Nb2O5 Nanofibers Prepared via Reactive Needle-Less Electrospinning for Application in Lithium–Sulfur Batteries
Inorganics 2023, 11(12), 456; https://doi.org/10.3390/inorganics11120456 - 25 Nov 2023
Viewed by 1292
Abstract
This contribution describes the preparation, coupled with detailed characterization, of Nb2O5 nanofibers and their application in lithium–sulfur batteries for the improvement of electrochemical performance. The utilization of reactive needle-less electrospinning allowed us to obtain, in a single step, amorphous pre-ceramic [...] Read more.
This contribution describes the preparation, coupled with detailed characterization, of Nb2O5 nanofibers and their application in lithium–sulfur batteries for the improvement of electrochemical performance. The utilization of reactive needle-less electrospinning allowed us to obtain, in a single step, amorphous pre-ceramic composite PAN/Nb2O5 fibers, which were transformed into porous ceramic Nb2O5 nanofibers via calcination. Thermogravimetric studies defined that calcination at 600 °C results in crystalline ceramic fibers without carbon residues. The fibrous morphology and mean diameter (614 ± 100 nm) of the ceramic nanofibers were analyzed via scanning and transmission electron microscopy. A surface area of 7.472 m2/g was determined through nitrogen adsorption measurements, while a combination of X-ray diffraction and Raman spectroscopy was used to show the crystallinity and composition of the fibers after calcination—single T-phase Nb2O5. Its performance in the cathode of lithium–sulfur batteries was defined through electrochemical tests, and the obtained results were compared to a similar blank electrode. The initial discharge capacity of 0.5 C reached a value of 570 mAh∙g−1, while the reversible capacity of 406 mAh∙g−1 was retained after 200 cycles, representing a capacity retention of 71.3%. The presence of Nb2O5 nanofibers in the carbon cathode inhibits the shuttle effect through polysulphide confinement, which originates from porosity and chemical trapping. Full article
(This article belongs to the Section Inorganic Materials)
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