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Keywords = mixed-cation

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18 pages, 6088 KiB  
Article
Hydrochemical Characteristics and Evolution of Underground Brine During Mining Process in Luobei Mining Area of Lop Nur, Northwestern China
by Xu Han, Yufei Deng, Hao Geng, Liangliang Zhao, Ji Zhang, Lingfen Wang, Lei Wang, Xiaohong Sun, Zihao Zhou, Meng Wang and Zhongjian Liu
Water 2025, 17(15), 2192; https://doi.org/10.3390/w17152192 - 23 Jul 2025
Abstract
Underground brine as a liquid mineral resource available for development and utilization has attracted widespread attention. However, how the mining process affects the hydrochemical characteristics and evolution of underground brine has yet to be fully understood. Herein, 207 underground brine samples were collected [...] Read more.
Underground brine as a liquid mineral resource available for development and utilization has attracted widespread attention. However, how the mining process affects the hydrochemical characteristics and evolution of underground brine has yet to be fully understood. Herein, 207 underground brine samples were collected from the Luobei mining area of the Lop Nur region during pre-exploitation (2006), exploitation (2019), and late exploitation (2023) to explore the dynamic change characteristics and evolution mechanisms of the underground brine hydrochemistry using the combination of statistical analysis, spatial interpolation, correlation analysis, and ion ratio analysis. The results indicated that Na+ and Cl were the dominant ionic components in the brine, and their concentrations remained relatively stable throughout the mining process. However, the content of Mg2+ increased gradually during the mining process (increased by 45.08% in the middle stage and 3.09% in the later stage). The elevation in Mg2+ concentration during the mining process could be attributed to the dissolution of Mg-bearing minerals, reverse cation exchange, and mixed recharge. This research furnishes a scientific foundation for a more in-depth comprehension of the disturbance mechanism of brine-mining activities on the groundwater chemical system in the mining area and for the sustainable exploitation of brine resources. Full article
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26 pages, 5733 KiB  
Article
Design Optimization of Cesium Contents for Mixed Cation MA1−xCsxPbI3-Based Efficient Perovskite Solar Cell
by Syed Abdul Moiz, Ahmed N. M. Alahmadi and Mohammed Saleh Alshaikh
Nanomaterials 2025, 15(14), 1085; https://doi.org/10.3390/nano15141085 - 13 Jul 2025
Viewed by 269
Abstract
Perovskite solar cells (PSCs) have already been reported as a promising alternative to traditional energy sources due to their excellent power conversion efficiency, affordability, and versatility, which is particularly relevant considering the growing worldwide demand for energy and increasing scarcity of natural resources. [...] Read more.
Perovskite solar cells (PSCs) have already been reported as a promising alternative to traditional energy sources due to their excellent power conversion efficiency, affordability, and versatility, which is particularly relevant considering the growing worldwide demand for energy and increasing scarcity of natural resources. However, operational concerns under environmental stresses hinder its economic feasibility. Through the addition of cesium (Cs), this study investigates how to optimize perovskite solar cells (PSCs) based on methylammonium lead-iodide (MAPbI3) by creating mixed-cation compositions of MA1−xCsxPbI3 (x = 0, 0.25, 0.5, 0.75, 1) for devices A to E, respectively. The impact of cesium content on the following factors, such as open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), and power conversion efficiency (PCE), was investigated using simulation software, with ITO/TiO2/MA1−xCsxPbI3/Spiro-OMeTAD/Au as a device architecture. Due to diminished defect density, the device with x = 0.5 (MA0.5Cs0.5PbI3) attains a maximum power conversion efficiency of 18.53%, with a Voc of 0.9238 V, Jsc of 24.22 mA/cm2, and a fill factor of 82.81%. The optimal doping density of TiO2 is approximately 1020 cm−3, while the optimal thicknesses of the electron transport layer (TiO2, 10–30 nm), the hole-transport layer (Spiro-OMeTAD, about 10–20 nm), and the perovskite absorber (750 nm) were identified to maximize efficiency. The inclusion of a small amount of Cs may improve photovoltaic responses; however, at elevated concentrations (x > 0.5), power conversion efficiency (PCE) diminished due to the presence of trap states. The results show that mixed-cation perovskite solar cells can be a great commercially viable option because they strike a good balance between efficiency and performance. Full article
(This article belongs to the Section Solar Energy and Solar Cells)
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17 pages, 2732 KiB  
Article
Influence of Cellulose Nanocrystals and Surfactants on Catastrophic Phase Inversion and Stability of Emulsions
by Daniel Kim and Rajinder Pal
Colloids Interfaces 2025, 9(4), 46; https://doi.org/10.3390/colloids9040046 - 11 Jul 2025
Viewed by 173
Abstract
This study presents the first quantitative comparison of catastrophic phase inversion behavior of water-in-oil emulsions stabilized by nanocrystalline cellulose (NCC) and molecular surfactants with different headgroup charge types: anionic (sodium dodecyl sulfate referred to as SDS), cationic (octadecyltrimethylammonium chloride referred to as OTAC), [...] Read more.
This study presents the first quantitative comparison of catastrophic phase inversion behavior of water-in-oil emulsions stabilized by nanocrystalline cellulose (NCC) and molecular surfactants with different headgroup charge types: anionic (sodium dodecyl sulfate referred to as SDS), cationic (octadecyltrimethylammonium chloride referred to as OTAC), nonionic (C12–14 alcohol ethoxylate referred to as Alfonic), and zwitterionic (cetyl betaine referred to as Amphosol). By using conductivity measurements under controlled mixing and pendant drop tensiometry, this study shows that NCC markedly delays catastrophic phase inversion through interfacial jamming, whereas surfactant-stabilized systems exhibit concentration-dependent inversion driven by interfacial saturation. Specifically, NCC-stabilized emulsions exhibited a nonlinear increase in the critical aqueous phase volume fraction required for inversion, ranging from 0.253 (0 wt% NCC) to 0.545 (1.5 wt% NCC), consistent with enhanced resistance to inversion typically associated with the formation of rigid interfacial layers in Pickering emulsions. In contrast, surfactant-stabilized systems exhibited a concentration-dependent inversion trend with opposing effects. At low concentrations, limited interfacial coverage delayed inversion, while at higher concentrations, increased surfactant availability and interfacial saturation promoted earlier inversion and favored the formation of oil-in-water structures. Pendant drop tensiometry confirmed negligible surface activity for NCC, while all surfactants significantly lowered interfacial tension. Despite its weak surface activity, NCC imparted strong coalescence resistance above 0.2 wt%, attributed to steric stabilization. These findings establish distinct mechanisms for governing phase inversion in particle- versus surfactant-stabilized systems. To our knowledge, this is the first study to quantitively characterize the catastrophic phase inversion behavior of water-in-oil emulsions using NCC. This work supports the use of NCC as an effective stabilizer for emulsions with high internal phase volume. Full article
(This article belongs to the Special Issue Rheology of Complex Fluids and Interfaces: 2nd Edition)
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19 pages, 15843 KiB  
Article
Hydrochemical Characteristics and Formation Mechanisms of Groundwater in the Nanmiao Emergency Groundwater Source Area, Yichun, Western Jiangxi, China
by Shengpin Yu, Tianye Wang, Ximin Bai, Gongxin Chen, Pingqiang Wan, Shifeng Chen, Qianqian Chen, Haohui Wan and Fei Deng
Water 2025, 17(14), 2063; https://doi.org/10.3390/w17142063 - 10 Jul 2025
Viewed by 199
Abstract
The Nanmiao Emergency Groundwater Source Area, rich in H2SiO3, serves as a strategic freshwater reserve zone in western Jiangxi Province. However, the mechanisms underlying groundwater formation in this area remain unclear. This study applied a combination of statistical analysis, [...] Read more.
The Nanmiao Emergency Groundwater Source Area, rich in H2SiO3, serves as a strategic freshwater reserve zone in western Jiangxi Province. However, the mechanisms underlying groundwater formation in this area remain unclear. This study applied a combination of statistical analysis, isotopic tracing, and hydrochemical modeling to reveal the hydrochemical characteristics and origins of groundwater in the region. The results indicate that Na+ and Ca2+ dominate the cations, while HCO3 and Cl dominate the anions. Groundwater from descending springs is characterized by low mineralization and weak acidity, with hydrochemical types of primarily HCO3–Na·Mg and HCO3–Mg·Na·Ca. Groundwater from boreholes is weakly mineralized and neutral, with dominant hydrochemical types of HCO3–Ca·Na and HCO3–Ca·Na·Mg, suggesting a deep circulation hydrogeochemical process. Hydrogen and oxygen isotope analysis indicates that atmospheric precipitation is the primary recharge source. The chemical composition of groundwater is mainly controlled by rock weathering, silicate mineral dissolution, and cation exchange processes. During groundwater flowing, water and rock interactions, such as leaching, cation exchange, and mixing, occur. This study identifies the recharge sources and circulation mechanisms of regional groundwater, offering valuable insights for the sustainable development and protection of the emergency water source area. Full article
(This article belongs to the Special Issue Advances in Surface Water and Groundwater Simulation in River Basin)
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117 pages, 10736 KiB  
Review
Design Principles and Engineering Strategies for Stabilizing Ni-Rich Layered Oxides in Lithium-Ion Batteries
by Alain Mauger and Christian M. Julien
Batteries 2025, 11(7), 254; https://doi.org/10.3390/batteries11070254 - 4 Jul 2025
Viewed by 602
Abstract
Nickel-rich layered oxides such as LiNixMnyCozO2 (NMC), LiNixCoyAlzO2 (NCA), and LiNixMnyCozAl(1–xyz)O2 (NMCA), where x [...] Read more.
Nickel-rich layered oxides such as LiNixMnyCozO2 (NMC), LiNixCoyAlzO2 (NCA), and LiNixMnyCozAl(1–xyz)O2 (NMCA), where x ≥ 0.6, have emerged as key cathode materials in lithium-ion batteries due to their high operating voltage and superior energy density. These materials, characterized by low cobalt content, offer a promising path toward sustainable and cost-effective energy storage solutions. However, their electrochemical performance remains below theoretical expectations, primarily due to challenges related to structural instability, limited thermal safety, and suboptimal cycle life. Intensive research efforts have been devoted to addressing these issues, resulting in substantial performance improvements and enabling the development of next-generation lithium-ion batteries with higher nickel content and reduced cobalt dependency. In this review, we present recent advances in material design and engineering strategies to overcome the problems limiting their electrochemical performance (cation mixing, phase stability, oxygen release, microcracks during cycling). These strategies include synthesis methods to optimize the morphology (size of the particles, core–shell and gradient structures), surface modifications of the Ni-rich particles, and doping. A detailed comparison between these strategies and the synergetic effects of their combination is presented. We also highlight the synergistic role of compatible lithium salts and electrolytes in achieving state-of-the-art nickel-rich lithium-ion batteries. Full article
(This article belongs to the Special Issue Batteries: 10th Anniversary)
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16 pages, 1636 KiB  
Article
Lithological Controls on Chemical Weathering and CO2 Consumption at Small Watershed Scale: Insights from Hydrochemistry and Stable Carbon Isotope
by Yuanzheng Zhang, Wenlong Huang, Zhuohan Zhuang, Jing Hua, Litong Bai, Yi Ding, Ling Zheng, Cheng Wang, Chuang Zhao and Yunde Liu
Water 2025, 17(13), 2008; https://doi.org/10.3390/w17132008 - 4 Jul 2025
Viewed by 296
Abstract
Previous investigations into lithology-driven weathering processes have largely emphasized large-scale spatial assessments, while studies targeting small watershed scales remain scarce. This study investigated two adjacent watersheds (Chengjia: CJ; Datan: DT) under comparable climatic conditions in Guangdong, China, using hydrochemistry and stable carbon isotopes. [...] Read more.
Previous investigations into lithology-driven weathering processes have largely emphasized large-scale spatial assessments, while studies targeting small watershed scales remain scarce. This study investigated two adjacent watersheds (Chengjia: CJ; Datan: DT) under comparable climatic conditions in Guangdong, China, using hydrochemistry and stable carbon isotopes. The CJ watershed exhibited low-TDS (20–66 mg/L) HCO3-Na·Ca-type waters dominated by silicate weathering, whereas the DT watershed displayed high-TDS (70–278 mg/L) HCO3-Ca-type waters, indicative of mixed carbonate–silicate weathering. Results of carbon isotope composition of dissolved inorganic carbon confirmed that H2CO3-driven weathering was the dominant mechanism in both watersheds. In the CJ watershed, 79.5% of dissolved cations in surface water originated from silicate weathering, yielding a CO2 consumption rate (CCR) of 0.28 × 106 mol/km2/yr, while carbonate weathering was negligible. Conversely, in the DT watershed, 86.4% of dissolved cations were derived from carbonate weathering, yielding a CCR of 1.94 × 106 mol/km2/yr, whereas silicate weathering contributed only 10.3% of cations with a CCR of 0.23 × 106 mol/km2/yr. The chemical weathering rate of carbonate can be up to 10 times that of silicate, resulting in a larger CCR. This study demonstrated the key impact of lithology on hydrochemical characteristics and CO2 consumption at small watershed scales. Full article
(This article belongs to the Special Issue Water–Rock Interaction)
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12 pages, 1250 KiB  
Article
Probing the Structural Order of Half-Heusler Phases in Sb-Doped (Ti,Zr,Hf)NiSn Thermoelectrics
by Fani Pinakidou, Andreas Delimitis and Maria Katsikini
Nanomaterials 2025, 15(13), 1037; https://doi.org/10.3390/nano15131037 - 3 Jul 2025
Viewed by 277
Abstract
The nanostructural features of a mechanically alloyed Sb-doped (Ti0.4Zr0.6)0.7Hf0.3NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. [...] Read more.
The nanostructural features of a mechanically alloyed Sb-doped (Ti0.4Zr0.6)0.7Hf0.3NiSn thermoelectric (TE) Half-Heusler (HH) compound were addressed using Transmission Electron Microscopy (TEM) coupled with Energy Dispersive Spectroscopy measurements and Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. The EXAFS measurements at the Ni-K, Sn-K, Zr-K, and Hf-L3-edge were implemented in an effort to reveal the influence of Hf and Zr incorporation into the crystal with respect to their previously measured TE properties. The substitution of Ti by Hf and Zr is expected to yield local lattice distortions due to the different atomic sizes of the dopants or/and electronic charge redistribution amongst the cations. However, the material is characterised by a high degree of crystallinity in both the short and long-range order, on average, and the nominal stoichiometry is identified as (Zr0.42Hf0.30Ti0.28)NiSn0.98Sb0.02. The synergistic effect of minimization of extended structural defects or lattice distortions and considerable alloying-induced point defect population contributes to the improved TE properties and leads to the previously reported enhancement of the figure of merit of the mixed HHs. Full article
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19 pages, 5287 KiB  
Article
Removal of Anionic and Cationic Dyes from Wastewater by Tetravalent Tin-Based Novel Coagulants
by Athanasia K. Tolkou, Argyro Giannoulaki, Paraskevi Chalkidi, Eleftheria Arvaniti, Sofia Fykari, Smaragda Kritaki and George Z. Kyzas
Processes 2025, 13(7), 2103; https://doi.org/10.3390/pr13072103 - 2 Jul 2025
Viewed by 360
Abstract
Wastewater contains dyes originating from textile industries, and above a certain concentration, they can become dangerous due to their high toxicity. Divalent and trivalent metal coagulants, usually aluminum- or iron-based, have been studied worldwide. However, tetravalent coagulants, such as tin chloride, have not [...] Read more.
Wastewater contains dyes originating from textile industries, and above a certain concentration, they can become dangerous due to their high toxicity. Divalent and trivalent metal coagulants, usually aluminum- or iron-based, have been studied worldwide. However, tetravalent coagulants, such as tin chloride, have not yet been extensively studied for application in wastewater treatment. Therefore, in this study, three types of coagulants were examined: SnCl4, Cs, and a hybrid composite (CS@Sn) in two different mass ratios, abbreviated hereafter as CS@Sn5% and CS@Sn50%. The formation of the suggested CS@Sn hybrid coagulants was confirmed by applying SEM, XRD, and FTIR techniques. The results showed that the optimum conditions for RB5 removal was the addition of 20 mg Sn/L SnCl4 (97.8%) and 50 mg Sn/L of CS@Sn50% (64.8%) at pH 3.0. In addition, SnCl4 was found to be an effective coagulant for all the examined anionic dyes, but it was not as effective for cationic dyes. Moreover, the coagulants were then tested in two mixed-dye solutions, both anionic dyes (RB5/RR120) and anionic/cationic (RB5/MV), resulting in a synergistic effect in the first one and a competitive effect in the secon. Finally, the proposed coagulants were successfully tested on real wastewater samples from an untreated textile dyeing industry. Therefore, the coagulants presented in this work for the removal of several dyes are also capable of being used for wastewater treatment. Full article
(This article belongs to the Special Issue Advances in Adsorption of Wastewater Pollutants)
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15 pages, 969 KiB  
Article
Centrifuge-Less Mixed Micelle-Mediated Cloud Point Extraction-Spectrophotometric Determination of Vanadium Using 4-Nitrocatechol and Cetylpyridinium Chloride
by Andrea Gajdošová, Petya Racheva, Denitsa Kiradzhiyska, Vidka Divarova, Antoaneta Saravanska, Jana Šandrejová and Kiril Gavazov
Int. J. Mol. Sci. 2025, 26(12), 5808; https://doi.org/10.3390/ijms26125808 - 17 Jun 2025
Viewed by 312
Abstract
A novel, environmentally friendly cloud point extraction (CPE) method based on 4-nitrocatechol (H2L) was developed in this study to spectrophotometrically determine trace vanadium. This method utilizes a mixed micelle-mediated system comprising a cationic surfactant (cetylpyridinium chloride, CPC) and a nonionic surfactant [...] Read more.
A novel, environmentally friendly cloud point extraction (CPE) method based on 4-nitrocatechol (H2L) was developed in this study to spectrophotometrically determine trace vanadium. This method utilizes a mixed micelle-mediated system comprising a cationic surfactant (cetylpyridinium chloride, CPC) and a nonionic surfactant (Triton X-114). In contrast to conventional CPE, the present approach does not employ centrifugation to separate the two phases. The distinguishing characteristic of the extracted species, (CP+)[VVOL2], is its ability to absorb light across the entire visible spectrum. The measurement at 670 nm, where the complex displays a local maximum, is advantageous for two primary reasons. Firstly, the blank exhibits virtually no absorption, a property that engenders stable and reproducible results. Secondly, selectivity is high because almost all other metal complexes have absorption bands at shorter wavelengths. The proposed method has the following characteristics: a linear range of 2–305 ng mL−1, a limit of detection of 0.6 ng mL−1, a molar absorptivity coefficient of 1.22 × 105 M−1 cm−1, a Sandell sensitivity of 0.42 ng cm−2, and a blue applicability grade index (BAGI) of 67.5. Its efficacy was demonstrated in the analysis of mineral water, a spent vanadium-containing catalyst, and a dietary supplement. Full article
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18 pages, 4318 KiB  
Article
The Genesis and Hydrochemical Formation Mechanism of Karst Springs in the Central Region of Shandong Province, China
by Yuanqing Liu, Le Zhou, Xuejun Ma, Dongguang Wen, Wei Li and Zheming Shi
Water 2025, 17(12), 1805; https://doi.org/10.3390/w17121805 - 17 Jun 2025
Viewed by 317
Abstract
With the intensification of human activities, the water resource environment in the karst mountainous area of central Shandong has undergone significant changes, directly manifested in the cessation of karst spring flows and the occurrence of karst collapses within the spring basin in the [...] Read more.
With the intensification of human activities, the water resource environment in the karst mountainous area of central Shandong has undergone significant changes, directly manifested in the cessation of karst spring flows and the occurrence of karst collapses within the spring basin in the Laiwu Basin. To support the scientific development and management of karst water, this study utilizes comprehensive analysis and deuterium-oxygen isotope test data from surveys and sampling of 20 typical karst springs conducted between 2016 and 2018. By integrating mathematical statistics, correlation analysis, and ion component ratio methods, the study analyzes the genesis, hydrochemical ion component sources, and controlling factors of typical karst springs in the Laiwu Basin. The results indicate that the genesis of karst springs in the Laiwu Basin is controlled by three factors: faults, rock masses, and lithology, and can be classified into four types: water resistance controlled by lithology, by faults, by basement, and by rock mass. The karst springs are generally weakly alkaline freshwater, with the main ion components being HCO3 and Ca2+, accounting for approximately 55.02% and 71.52% of the anion and cation components, respectively; about 50% of the sampling points have a hydrochemical type of HCO3·SO4-Ca·Mg. Stable isotope (δ18O and δD) results show that atmospheric precipitation is the primary recharge source for karst springs in the Laiwu Basin. There are varying degrees of evaporative fractionation and water–rock interaction during the groundwater flow process, resulting in significantly higher deuterium excess (d-excess) in the sampling points on the southern side of the basin compared to the northern side, indicating clear differentiation. The hydrochemical composition of the karst groundwater system is predominantly governed by water–rock interactions during flow processes and anthropogenic influences. Carbonate dissolution (primarily calcite) serves as the principal source of HCO3, SO42−, Ca2+, and Mg2+, while evaporite dissolution and reverse cation exchange contribute to the slight enrichment of Ca2+ and Mg2+ alongside depletion of Na+ and K+ in spring waters. Saturation indices (SI) reveal that spring waters are saturated with respect to gypsum, aragonite, calcite, and dolomite, but undersaturated for halite. The mixing of urban domestic sewage, agricultural planting activities, and the use of manure also contributes to the formation of Cl and NO3 ions in karst springs. Full article
(This article belongs to the Topic Human Impact on Groundwater Environment, 2nd Edition)
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23 pages, 12059 KiB  
Article
Powders Synthesized from Water Solutions of Sodium Silicate and Calcium and/or Magnesium Chlorides
by Tatiana V. Safronova, Alexandra S. Sultanovskaya, Sergei A. Savelev, Tatiana B. Shatalova, Yaroslav Y. Filippov, Olga V. Boytsova, Vadim B. Platonov, Tatiana V. Filippova, Albina M. Murashko, Xinyan Feng and Muslim R. Akhmedov
Compounds 2025, 5(2), 22; https://doi.org/10.3390/compounds5020022 - 16 Jun 2025
Viewed by 395
Abstract
Powders with phase composition including quasi-amorphous phases and calcium carbonate CaCO3 in the form of calcite or aragonite and sodium halite NaCl as a reaction by-product were synthesized from 0.5M aqua solutions of sodium silicate and 0.5M aqua solutions of calcium and/or [...] Read more.
Powders with phase composition including quasi-amorphous phases and calcium carbonate CaCO3 in the form of calcite or aragonite and sodium halite NaCl as a reaction by-product were synthesized from 0.5M aqua solutions of sodium silicate and 0.5M aqua solutions of calcium and/or magnesium chlorides. Starting solutions were taken in quantities which could provide precipitation of hydrated calcium and/or magnesium silicates with molar ratios Ca/Si = 1 (CaSi), Mg/Si = 1 (MgSi) or (Ca+Mg)/Si = 1 (CaMgSi). Hydrated calcium and/or magnesium silicates, hydrated silica, magnesium carbonate, hydrated magnesium carbonate or hydrated magnesium silicate containing carbonate ions are suspected as components of quasi-amorphous phases presented in synthesized powders. Heat treatment of synthesized powders at 400, 600, 800 °C and pressed preceramic samples at 900, 1000, 1100 and 1200 °C were used for investigation of thermal evolution of the phase composition and microstructure of powders and ceramic samples. Mass loss of powder samples under investigation during heat treatment was provided due to evacuation of H2O (m/z = 18), CO2 (m/z = 44) and NaCl at temperatures above its melting point. After sintering at 1100 °C, the phase composition of ceramic samples included wollastonite CaSiO3 (CaSi_1100); enstatite MgSiO3, clinoenstatite MgSiO3 and forsterite Mg2SiO4 (MgSi_1100); and diopside CaMgSi2O6 (CaMgSi_1100). After sintering at 1200 °C, the phase composition of ceramics CaSi_1200 included pseudo-wollastonite CaSiO3. After heat treatment at 1300 °C, the phase composition of MgSi_1300 powder included preferably protoenstatite MgSiO3. The phase composition of all samples after heat treatment belongs to the oxide system CaO–MgO–SiO2. Ceramic materials in this system are of interest for use in different areas, including refractories, construction materials and biomaterials. Powders prepared in the present investigation, both via precipitation and via heat treatment, can be used for the creation of materials with specific properties and in model experiments as lunar regolith simulants. Full article
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19 pages, 2334 KiB  
Article
One-Pot Microwave-Assisted Synthesis of Fluorescent Carbon Dots from Tomato Industry Residues with Antioxidant and Antibacterial Activities
by Patrícia D. Barata, Alexandra I. Costa, Sónia Martins, Magda C. Semedo, Bruno G. Antunes and José V. Prata
Biomass 2025, 5(2), 35; https://doi.org/10.3390/biomass5020035 - 10 Jun 2025
Viewed by 1070
Abstract
Tomato waste (TW) was employed as a sustainable source for the synthesis of fluorescent carbon dots (CDs) via a microwave-assisted hydrothermal carbonization (Mw-HTC) method, aiming at its valorization. Several amines were used as nitrogen additives to enhance the fluorescence quantum yield (QY) of [...] Read more.
Tomato waste (TW) was employed as a sustainable source for the synthesis of fluorescent carbon dots (CDs) via a microwave-assisted hydrothermal carbonization (Mw-HTC) method, aiming at its valorization. Several amines were used as nitrogen additives to enhance the fluorescence quantum yield (QY) of CDs, and a set of reaction conditions, including additive/TW mass ratio (0.04–0.32), dwell time (15–60 min), and temperature (200–230 °C) of the HTC process, were scrutinized. The structural analysis of the tomato waste carbon dots (TWCDs) was undertaken by FTIR and 1H NMR techniques, revealing their most relevant features. In solid state, transmission electron microscopy (TEM) analysis showed the presence of nearly spherical nanoparticles with an average lateral size of 8.1 nm. Likewise, the topographical assessment by atomic force microscopy (AFM) also indicated particles’ heights between 3 and 10 nm. Their photophysical properties, revealed by UV–Vis, steady-state, and time-resolved fluorescence spectroscopies, are fully discussed. Higher photoluminescent quantum yields (up to 0.08) were attained when the biomass residues were mixed with organic aliphatic amines during the Mw-HTC process. Emission tunability is a characteristic feature of these CDs, which display an intensity average fluorescence lifetime of 8 ns. The new TWCDs demonstrated good antioxidant properties by the ABTS radical cation method (75% inhibition at TWCDs’ concentration of 5 mg/mL), which proved to be related to the dwell time used in the CDs synthesis. Moreover, the synthesized TWCDs suppressed the growth of Escherichia coli and Staphylococcus aureus at concentrations higher than 2000 μg/mL, encouraging future antibacterial applications. Full article
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19 pages, 3611 KiB  
Review
Recent Advances in Enhancing Air Stability of Layered Oxide Cathodes for Sodium-Ion Batteries via High-Entropy Strategies
by Zhenyu Cheng, Tao Du, Lei Cao, Yuxuan Liu and Hao Wang
Metals 2025, 15(6), 646; https://doi.org/10.3390/met15060646 - 9 Jun 2025
Viewed by 707
Abstract
Layered transition metal oxide (LTMO) cathode materials for sodium-ion batteries (SIBs) have attracted extensive attention due to their unique structural stability and excellent electrochemical performance. However, their poor stability in air has significantly impeded their practical application, as exposure to moisture and carbon [...] Read more.
Layered transition metal oxide (LTMO) cathode materials for sodium-ion batteries (SIBs) have attracted extensive attention due to their unique structural stability and excellent electrochemical performance. However, their poor stability in air has significantly impeded their practical application, as exposure to moisture and carbon dioxide can lead to Na+ loss, phase transitions, and decreased electrochemical performance. This paper reviews the application of high-entropy strategies in sodium-ion LTMO cathode materials, focusing on the optimization of air stability and electrochemical performance through approaches including high-entropy cation regulation, P2/O3 dual-phase synergistic structures, and fluorine ion doping. Studies have shown that high-entropy design can effectively inhibit phase transitions, alleviate Jahn–Teller distortion, enhance oxygen framework stability, and markedly enhance the cycle life and rate performance of materials. Furthermore, future research directions are proposed, including the use of advanced characterization techniques to reveal failure mechanisms, the integration of machine learning to optimize material design, and the development of high-performance mixed-phase structures. High-entropy strategies provide new perspectives for the development of SIBs cathode materials with enhanced air stability, potentially promoting the practical application of SIBs in large-scale energy storage systems. Full article
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15 pages, 3356 KiB  
Article
Synthesis, Crystal Structure, Characterization, and Hydrophobicity Tests of Bismuth(III)– and Silver(I)–Triammionium Bromide Low-Dimensional Perovskites
by Victor C. Sousa, Bruno Dival and Willian X. C. Oliveira
Compounds 2025, 5(2), 20; https://doi.org/10.3390/compounds5020020 - 4 Jun 2025
Viewed by 779
Abstract
This work describes the synthesis, crystal structure, and hydrophobicity tests of four bismuth(III)– and silver(I)–bromide complexes using the triammonium cations diethylenetriaminonium (H3DETA3+) and N,N,N′,N″,N‴-pentamethyldiethylenetriammonium (H3PMDTA3+). The prepared compounds are the 0D perovskites (H3DETA)[BiBr [...] Read more.
This work describes the synthesis, crystal structure, and hydrophobicity tests of four bismuth(III)– and silver(I)–bromide complexes using the triammonium cations diethylenetriaminonium (H3DETA3+) and N,N,N′,N″,N‴-pentamethyldiethylenetriammonium (H3PMDTA3+). The prepared compounds are the 0D perovskites (H3DETA)[BiBr6] (1), (H3DETA)2[AgBr4]Br3 (2), and (H3PMDTA)[BiBr6] (3), as well as the 1D/2D mixed perovskite with minimum formula (H3PMDTA)[Ag3Br6] (4), being the last three novel materials. Compounds 1 and 3 crystallize in the orthorhombic P212121 space group and are discrete [BiBr6]3− units with the cation surrounding them. In both compounds, the bismuth(III) metal ion is found in a distorted octahedral coordination geometry. Compound 2 crystallizes in the monoclinic P21/c space group, and it is a mixed salt consisting of (H3DETA)[AgBr4] and (H3DETA)Br3, whereas the silver(I) complexes are also isolated. Finally, compound 4, which crystallizes in the orthorhombic space group Pbcn, is a combination of a 2D and 1D silver–bromide perovskite, with the cations filling the voids. The 2D structure has the minimal formula [Ag4Br7]3−, with the 1D coordination polymer [Ag2Br5]3− being both built up by a combination of bromide ions acting as tetrahedra corner and edge-sharing bridging ligands. The silver(I) in 2 and 4 is found in a tetrahedral coordination geometry. All compounds were deposited on pristine FTO glass, resulting in an increase in the contact angle from 22° to 44°, 36°, 62°, and 54° for films of 1, 2, 3, and 4, respectively. Compounds 1 and 3 were also deposited onto Cs2AgBiBr6 film, and the contact angles were observed to be the same as when deposited directly onto the FTO cover glass. Full article
(This article belongs to the Special Issue Feature Papers in Compounds (2025))
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20 pages, 1730 KiB  
Article
Computational Modeling of Cation Diffusion in Isolated Nanocrystals of Mixed Uranium, Plutonium and Thorium Dioxides
by Dastan D. Seitov, Kirill A. Nekrasov, Sergey S. Pitskhelaury, Fatima U. Abuova, Gaukhar D. Kabdrakhimova, Aisulu U. Abuova and Sanjeev K. Gupta
Crystals 2025, 15(6), 532; https://doi.org/10.3390/cryst15060532 - 2 Jun 2025
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Abstract
A classical molecular dynamics simulation of cation diffusion in isolated crystals (UxPuyTh1−xy)O2 bounded by a free surface was performed. It was shown that in the bulk of the same model crystallite, the diffusion [...] Read more.
A classical molecular dynamics simulation of cation diffusion in isolated crystals (UxPuyTh1−xy)O2 bounded by a free surface was performed. It was shown that in the bulk of the same model crystallite, the diffusion coefficients of cations of all types were practically identical. At the same time, the cation diffusion coefficients changed with the melting temperature of nanocrystals, which increased with increasing thorium content. At a given temperature, the diffusion coefficients were the higher, the lower were the melting points of the (UxPuyTh1−xy)O2 crystallites. The temperature dependences of the diffusion coefficients in crystallites of different compositions converged when using coordinates normalized to the melting points. Full article
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