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16 pages, 2868 KiB  
Article
The Biocorrosion of a Rare Earth Magnesium Alloy in Artificial Seawater Containing Chlorella vulgaris
by Xinran Yao, Qi Fu, Guang-Ling Song and Kai Wang
Materials 2025, 18(15), 3698; https://doi.org/10.3390/ma18153698 - 6 Aug 2025
Abstract
In the medical field, magnesium (Mg) alloys have been widely used due to their excellent antibacterial properties and biodegradability. However, in the marine environment, the antibacterial effect may be greatly attenuated, and consequently, microorganisms in the ocean are likely to adhere to the [...] Read more.
In the medical field, magnesium (Mg) alloys have been widely used due to their excellent antibacterial properties and biodegradability. However, in the marine environment, the antibacterial effect may be greatly attenuated, and consequently, microorganisms in the ocean are likely to adhere to the surface of Mg alloys, resulting in biocorrosion damage, which is really troublesome in the maritime industry and can even be disastrous to the navy. Currently, there is a lack of research on the biocorrosion of Mg alloys that may find important applications in marine engineering. In this paper, the biocorrosion mechanism of the Mg alloy Mg-3Nd-2Gd-Zn-Zr caused by Chlorella vulgaris (C. vulgaris), a typical marine microalga, was studied. The results showed that the biomineralization process in the artificial seawater containing a low concentration of C. vulgaris cells was accelerated compared with that in the abiotic artificial seawater, leading to the deposition of CaCO3 on the surface to inhibit the localized corrosion of the Mg alloy, whereas a high concentration of C. vulgaris cells produced a high content of organic acids at some sites through photosynthesis to significantly accelerate the surface film rupture at some sites and severe localized corrosion there, but meanwhile, it resulted in the formation of a more protective biomineralized film in the other areas to greatly alleviate the corrosion. The contradictory biocorrosion behaviors on the Mg-3Nd-2Gd-Zn-Zr alloy induced by C. vulgaris were finally explained by a mechanism proposed in the paper. Full article
(This article belongs to the Section Corrosion)
20 pages, 3299 KiB  
Article
Insights into Complex Compounds of Ampicillin: Potentiometric and Spectroscopic Studies
by Justyna Frymark, Michał Zabiszak, Jakub Grajewski, Bartosz Tylkowski and Renata Jastrzab
Int. J. Mol. Sci. 2025, 26(15), 7605; https://doi.org/10.3390/ijms26157605 - 6 Aug 2025
Abstract
Metal ions, including Mg(II), Ca(II), Sr(II), Co(II), Ni(II), Cu(II), Nd(III), Eu(III), and Tb(III), were investigated in binary systems alongside ampicillin at molar ratios of 1:1 and 1:2. These investigations were carried out in aqueous solutions, and the formation of complexes was verified through [...] Read more.
Metal ions, including Mg(II), Ca(II), Sr(II), Co(II), Ni(II), Cu(II), Nd(III), Eu(III), and Tb(III), were investigated in binary systems alongside ampicillin at molar ratios of 1:1 and 1:2. These investigations were carried out in aqueous solutions, and the formation of complexes was verified through meticulous computational analysis. Detailed stability constants for the formed complexes and equilibrium constants for the involved reactions were meticulously determined. Furthermore, a comprehensive examination of the impact of ligand concentration on the configuration of the central metal atom’s coordination sphere was conducted. This investigation was complemented by spectroscopic measurements, which effectively confirmed the observed changes in the coordination sphere of the metal ions. Full article
(This article belongs to the Section Physical Chemistry and Chemical Physics)
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28 pages, 4848 KiB  
Article
Mineralogical and Geochemical Features of Soil Developed on Rhyolites in the Dry Tropical Area of Cameroon
by Aubin Nzeugang Nzeukou, Désiré Tsozué, Estelle Lionelle Tamto Mamdem, Merlin Gountié Dedzo and Nathalie Fagel
Standards 2025, 5(3), 20; https://doi.org/10.3390/standards5030020 - 6 Aug 2025
Abstract
Petrological knowledge on weathering processes controlling the mobility of chemical elements is still limited in the dry tropical zone of Cameroon. This study aims to investigate the mobility of major and trace elements during rhyolite weathering and soil formation in Mobono by understanding [...] Read more.
Petrological knowledge on weathering processes controlling the mobility of chemical elements is still limited in the dry tropical zone of Cameroon. This study aims to investigate the mobility of major and trace elements during rhyolite weathering and soil formation in Mobono by understanding the mineralogical and elemental vertical variation. The studied soil was classified as Cambisols containing mainly quartz, K-feldspar, plagioclase, smectite, kaolinite, illite, calcite, lepidocrocite, goethite, sepiolite, and interstratified clay minerals. pH values ranging between 6.11 and 8.77 indicated that hydrolysis, superimposed on oxidation and carbonation, is the main process responsible for the formation of secondary minerals, leading to the formation of iron oxides and calcite. The bedrock was mainly constituted of SiO2, Al2O3, Na2O, Fe2O3, Ba, Zr, Sr, Y, Ga, and Rb. Ce and Eu anomalies, and chondrite-normalized La/Yb ratios were 0.98, 0.67, and 2.86, respectively. SiO2, Al2O3, Fe2O3, Na2O, and K2O were major elements in soil horizons. Trace elements revealed high levels of Ba (385 to 1320 mg kg−1), Zr (158 to 429 mg kg−1), Zn (61 to 151 mg kg−1), Sr (62 to 243 mg kg−1), Y (55 to 81 mg kg−1), Rb (1102 to 58 mg kg−1), and Ga (17.70 to 35 mg kg−1). LREEs were more abundant than HREEs, with LREE/HREE ratio ranging between 2.60 and 6.24. Ce and Eu anomalies ranged from 1.08 to 1.21 and 0.58 to 1.24 respectively. The rhyolite-normalized La/Yb ratios varied between 0.56 and 0.96. Mass balance revealed the depletion of Si, Ca, Na, Mn, Sr, Ta, W, U, La, Ce, Pr, Nd, Sm, Gd and Lu, and the accumulation of Al, Fe, K, Mg, P, Sc, V, Co, Ni, Cu, Zn, Ga, Ge, Rb, Y, Zr, Nb, Cs, Ba, Hf, Pb, Th, Eu, Tb, Dy, Ho, Er, Tm and Yb during weathering along the soil profile. Full article
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16 pages, 6404 KiB  
Article
The Study of Phase Behavior of Multi-Component Alkane–Flue Gas Systems Under High-Temperature Conditions Based on Molecular Dynamics Simulations
by Xiaokun Zhang, Jiagao Tang, Zongyao Qi, Suo Liu, Changfeng Xi, Fang Zhao, Ping Hu, Hongyun Zhou, Chao Wang and Bojun Wang
Energies 2025, 18(15), 4169; https://doi.org/10.3390/en18154169 - 6 Aug 2025
Abstract
Injecting industrial high-temperature flue gas into hydrocarbon reservoirs has emerged as a novel approach for carbon sequestration. However, the complex high-temperature phase behavior between flue gas (CO2, N2) and reservoir fluids challenges this technology’s development, as traditional experimental methods [...] Read more.
Injecting industrial high-temperature flue gas into hydrocarbon reservoirs has emerged as a novel approach for carbon sequestration. However, the complex high-temperature phase behavior between flue gas (CO2, N2) and reservoir fluids challenges this technology’s development, as traditional experimental methods and theoretical models often fall short in capturing it accurately. To address this, molecular dynamics simulations were employed in this study to investigate the phase behavior of single-component alkanes, multicomponent alkane mixtures, and multicomponent alkane–flue gas systems under high-temperature conditions. The results reveal that CO2 can become miscible with alkanes, while N2 diffuses into the system, causing volumetric expansion and a reduction in density. The initially distinct phase interface between the multicomponent alkanes and the flue gas becomes progressively blurred and eventually disappears, indicating the formation of a fully miscible phase. Comparative simulations revealed that the diffusion coefficients of N2 and CO2 increased by up to 20% with rising temperature and pressure, while variations in flue gas composition had negligible effects, indicating that high-temperature and high-pressure conditions significantly enhance flue gas–alkane miscibility. Full article
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18 pages, 6311 KiB  
Article
Unraveling the Excellent High-Temperature Oxidation Behavior of FeNiCuAl-Based Alloy
by Guangxin Wu, Gaosheng Li, Lijun Wei, Hao Chen, Yujie Wang, Yunze Qiao, Yu Hua, Chenyang Shi, Yingde Huang and Wenjie Yang
Materials 2025, 18(15), 3679; https://doi.org/10.3390/ma18153679 - 5 Aug 2025
Abstract
This study synthesized FeNiCuAlX high-entropy alloys (HEAs) (where X = Cr, Co, Mn) using arc melting and investigated their high-temperature oxidation behavior in air at 900 °C. The oxidation kinetics of all alloys followed a parabolic rate, with the oxidation rate constants (kp) [...] Read more.
This study synthesized FeNiCuAlX high-entropy alloys (HEAs) (where X = Cr, Co, Mn) using arc melting and investigated their high-temperature oxidation behavior in air at 900 °C. The oxidation kinetics of all alloys followed a parabolic rate, with the oxidation rate constants (kp) of FeNiCuAlCr, FeNiCuAlCo, and FeNiCuAlMn being approximately two to three orders of magnitude lower than that of the FeNiCu alloy. Specifically, FeNiCuAlCr exhibited the lowest kp value of 1.72 × 10−6 mg2·cm4/s, which is significantly lower than those of FeNiCuAlCo (3.29 × 10−6 mg2·cm4/s) and FeNiCuAlMn (1.71 × 10−5 mg2·cm4/s). This suggests that the addition of chromium promotes the formation of a dense Al2O3/Cr2O3 oxide layer, significantly enhancing the oxidation resistance. Furthermore, corrosion resistance was assessed through potentiodynamic polarization and electrochemical impedance spectroscopy in a 3.5% NaCl solution. FeNiCuAlCr demonstrated exceptional resistance to localized corrosion, as indicated by its low corrosion current density (45.7 μA/cm2) and high pitting potential (−0.21 V), highlighting its superior corrosion performance. Full article
(This article belongs to the Special Issue Characterization, Properties, and Applications of New Metallic Alloys)
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12 pages, 671 KiB  
Proceeding Paper
The Role of Industrial Catalysts in Accelerating the Renewable Energy Transition
by Partha Protim Borthakur and Barbie Borthakur
Chem. Proc. 2025, 17(1), 6; https://doi.org/10.3390/chemproc2025017006 - 4 Aug 2025
Viewed by 113
Abstract
Industrial catalysts are accelerating the global transition toward renewable energy, serving as enablers for innovative technologies that enhance efficiency, lower costs, and improve environmental sustainability. This review explores the pivotal roles of industrial catalysts in hydrogen production, biofuel generation, and biomass conversion, highlighting [...] Read more.
Industrial catalysts are accelerating the global transition toward renewable energy, serving as enablers for innovative technologies that enhance efficiency, lower costs, and improve environmental sustainability. This review explores the pivotal roles of industrial catalysts in hydrogen production, biofuel generation, and biomass conversion, highlighting their transformative impact on renewable energy systems. Precious-metal-based electrocatalysts such as ruthenium (Ru), iridium (Ir), and platinum (Pt) demonstrate high efficiency but face challenges due to their cost and stability. Alternatives like nickel-cobalt oxide (NiCo2O4) and Ti3C2 MXene materials show promise in addressing these limitations, enabling cost-effective and scalable hydrogen production. Additionally, nickel-based catalysts supported on alumina optimize SMR, reducing coke formation and improving efficiency. In biofuel production, heterogeneous catalysts play a crucial role in converting biomass into valuable fuels. Co-based bimetallic catalysts enhance hydrodeoxygenation (HDO) processes, improving the yield of biofuels like dimethylfuran (DMF) and γ-valerolactone (GVL). Innovative materials such as biochar, red mud, and metal–organic frameworks (MOFs) facilitate sustainable waste-to-fuel conversion and biodiesel production, offering environmental and economic benefits. Power-to-X technologies, which convert renewable electricity into chemical energy carriers like hydrogen and synthetic fuels, rely on advanced catalysts to improve reaction rates, selectivity, and energy efficiency. Innovations in non-precious metal catalysts, nanostructured materials, and defect-engineered catalysts provide solutions for sustainable energy systems. These advancements promise to enhance efficiency, reduce environmental footprints, and ensure the viability of renewable energy technologies. Full article
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18 pages, 2365 KiB  
Article
Integrated Environmental–Economic Assessment of CO2 Storage in Chinese Saline Formations
by Wentao Zhao, Zhe Jiang, Tieya Jing, Jian Zhang, Zhan Yang, Xiang Li, Juan Zhou, Jingchao Zhao and Shuhui Zhang
Water 2025, 17(15), 2320; https://doi.org/10.3390/w17152320 - 4 Aug 2025
Viewed by 208
Abstract
This study develops an integrated environmental–economic assessment framework to evaluate the life cycle environmental impacts and economic costs of CO2 geological storage and produced water treatment in saline formations in China. Using a case study of a saline aquifer carbon storage project [...] Read more.
This study develops an integrated environmental–economic assessment framework to evaluate the life cycle environmental impacts and economic costs of CO2 geological storage and produced water treatment in saline formations in China. Using a case study of a saline aquifer carbon storage project in the Ordos Basin, eight full-chain carbon capture, utilization, and storage (CCUS) scenarios were analyzed. The results indicate that environmental and cost performance are primarily influenced by technology choices across carbon capture, transport, and storage stages. The scenario employing potassium carbonate-based capture, pipeline transport, and brine reinjection after a reverse osmosis treatment (S5) achieved the most balanced outcome. Breakeven analyses under three carbon price projection models revealed that carbon price trajectories critically affect project viability, with a steadily rising carbon price enabling earlier profitability. By decoupling CCUS from power systems and focusing on unit CO2 removal, this study provides a transparent and transferable framework to support cross-sectoral deployment. The findings offer valuable insights for policymakers aiming to design effective CCUS support mechanisms under future carbon neutrality targets. Full article
(This article belongs to the Special Issue Mine Water Treatment, Utilization and Storage Technology)
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12 pages, 1674 KiB  
Article
Impact of Substrate Amount and Fruiting Induction Methods in Lentinula edodes Cultivation
by Bruno de Souza Rocha, Wagner Gonçalves Vieira Junior, Adriano Taffarel Camargo de Paula, Asser Botelho Santana, Marcos Antônio da Silva Freitas, Milton Mineo Hirai, Lucas da Silva Alves and Diego Cunha Zied
Horticulturae 2025, 11(8), 915; https://doi.org/10.3390/horticulturae11080915 (registering DOI) - 4 Aug 2025
Viewed by 80
Abstract
Mushroom production is a sustainable practice but requires improvements, such as in Lentinula edodes (Berk) Pegler cultivation, which has high water and labor demands. In this context, this study proposed replacing the traditional primordia induction method by submersion with a water injection method. [...] Read more.
Mushroom production is a sustainable practice but requires improvements, such as in Lentinula edodes (Berk) Pegler cultivation, which has high water and labor demands. In this context, this study proposed replacing the traditional primordia induction method by submersion with a water injection method. Two primordia induction methods (submersion and injection) and two cultivation block formats were compared: rectangular cube (2 kg) and cylindrical (3.5 kg). The substrate, composed of eucalyptus sawdust (72%), wheat bran (12.5%), rice bran (12.5%), CaCO3 (1%), and CaSO4 (2%), was inoculated with strain LED 19/11 and incubated for 80 days at 26 ± 5 °C and 85 ± 15% humidity. After this period, the blocks were washed and transferred to the production environment. Fruiting was induced either by submersion or water injection, and production was evaluated over four harvest flushes. The 2 kg blocks had higher yields with submersion (16.62%), while the 3.5 kg blocks responded better to injection (13.01%), showing more homogeneous production. Increasing the substrate quantity contributes to greater harvest stability across production cycles. Water injections proved to be a viable alternative, reducing handling and facilitating large-scale production. The use of this technique demonstrates great importance in reducing water use and also the need for labor in cultivation. Full article
(This article belongs to the Section Vegetable Production Systems)
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16 pages, 17592 KiB  
Article
Functional Identification of Acetyl-CoA C-Acetyltransferase Gene from Fritillaria unibracteata
by Zichun Ma, Qiuju An, Xue Huang, Hongting Liu, Feiying Guo, Han Yan, Jiayu Zhou and Hai Liao
Horticulturae 2025, 11(8), 913; https://doi.org/10.3390/horticulturae11080913 (registering DOI) - 4 Aug 2025
Viewed by 51
Abstract
Fritillaria unibracteata is a rare and endangered medicinal plant in the Liliaceae family, whose bulbs have been used in traditional Chinese traditional medicine for over 2000 years. The mevalonate (MVA) pathway is involved in the growth, development, response to environmental stress, and active [...] Read more.
Fritillaria unibracteata is a rare and endangered medicinal plant in the Liliaceae family, whose bulbs have been used in traditional Chinese traditional medicine for over 2000 years. The mevalonate (MVA) pathway is involved in the growth, development, response to environmental stress, and active ingredient production of plants; however, the functional characterization of MVA-pathway genes in the Liliaceae family remains poorly documented. In this study, an Acetyl-CoA C-acetyltransferase gene (FuAACT) was first cloned from F. unibracteata. It exhibited structural features of the thiolase family and showed the highest sequence identity with the Dioscorea cayenensis homolog. The Km, Vmax, and Kcat of the recombinant FuAACT were determined to be 3.035 ± 0.215 μM, 0.128 ± 0.0058 μmol/(min·mg), and 1.275 ± 0.0575 min−1, respectively. The optimal catalytic conditions for FuAACT were ascertained to be 30 °C and pH 8.9. It was stable below 50 °C. His361 was confirmed to be a key amino acid residue to enzymatic catalysis by site-directed mutagenesis. Subsequent subcellular localization experiments demonstrated that FuAACT was localized in chloroplasts and cytoplasm. FuAACT-overexpressing transgenic Arabidopsis thaliana plants showed higher drought tolerance than wild-type plants. This phenotypic difference was corroborated by significant differences in seed germination rate, lateral root number, plant height, and leaf number (p < 0.05). Furthermore, the FuAACT transgenic plants resulted in the formation of a more developed fibrous root system. These results indicated that the FuAACT gene revealed substantial biological activity in vitro and in vivo, hopefully providing the basis for its further research and application in liliaceous ornamental and medicinal plants. Full article
(This article belongs to the Special Issue Tolerance of Horticultural Plants to Abiotic Stresses)
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28 pages, 2335 KiB  
Article
Fine-Tuning Pre-Trained Large Language Models for Price Prediction on Network Freight Platforms
by Pengfei Lu, Ping Zhang, Jun Wu, Xia Wu, Yunsheng Mao and Tao Liu
Mathematics 2025, 13(15), 2504; https://doi.org/10.3390/math13152504 - 4 Aug 2025
Viewed by 197
Abstract
Various factors influence the formation and adjustment of network freight prices, including transportation costs, cargo characteristics, and policies and regulations. The interaction of these factors increases the difficulty of accurately predicting network freight prices through regressions or other machine learning models, especially when [...] Read more.
Various factors influence the formation and adjustment of network freight prices, including transportation costs, cargo characteristics, and policies and regulations. The interaction of these factors increases the difficulty of accurately predicting network freight prices through regressions or other machine learning models, especially when the amount and quality of training data are limited. This paper introduces large language models (LLMs) to predict network freight prices using their inherent prior knowledge. Different data sorting methods and serialization strategies are employed to construct the corpora of LLMs, which are then tested on multiple base models. A few-shot sample dataset is constructed to test the performance of models under insufficient information. The Chain of Thought (CoT) is employed to construct a corpus that demonstrates the reasoning process in freight price prediction. Cross entropy loss with LoRA fine-tuning and cosine annealing learning rate adjustment, and Mean Absolute Error (MAE) loss with full fine-tuning and OneCycle learning rate adjustment to train the models, respectively, are used. The experimental results demonstrate that LLMs are better than or competitive with the best comparison model. Tests on a few-shot dataset demonstrate that LLMs outperform most comparison models in performance. This method provides a new reference for predicting network freight prices. Full article
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16 pages, 2301 KiB  
Article
Haustorium Formation and Specialized Metabolites Biosynthesis Using Co-Culture of Castilleja tenuiflora Benth. and Baccharis conferta Kunth
by Annel Lizeth Leyva-Peralta, José Luis Trejo-Espino, Guadalupe Salcedo-Morales, Daniel Tapia-Maruri, Virginia Medina-Pérez, Alma Rosa López-Laredo and Gabriela Trejo-Tapia
Biology 2025, 14(8), 990; https://doi.org/10.3390/biology14080990 (registering DOI) - 4 Aug 2025
Viewed by 233
Abstract
In this study, an in vitro co-culture system of Castilleja tenuiflora and its host, Baccharis conferta, was used, and the impact of their interaction on specialized metabolite content was analyzed. After 4 weeks of co-culture, haustoria formation was verified through environmental scanning [...] Read more.
In this study, an in vitro co-culture system of Castilleja tenuiflora and its host, Baccharis conferta, was used, and the impact of their interaction on specialized metabolite content was analyzed. After 4 weeks of co-culture, haustoria formation was verified through environmental scanning electron and confocal microscopy, confirming the successful establishment of the plant–plant interaction. Shoot height and biomass of the aerial part of the hemiparasite were not affected significantly by co-culture. However, root biomass increased by 53% compared to individually grown plants. Co-culture significantly reduced the host’s root length without negatively affecting its overall growth or survival. Phytochemical profile alterations were observed in both species. For C. tenuiflora, the lignans sesamin and eudesmin are proposed as differentially accumulated metabolites, while in B. conferta, the caffeoylquinic acid, 4,5-di-O-caffeoylquinic acid, and the flavonoid acacetin were expressed differently. The development and chemical profiles of B. conferta and C. tenuiflora change when they grow in a co-culture because of the host–parasite interaction. Here, we report the feasibility of using a hemiparasite–host system to investigate more profound research questions. Future biotechnological applications of this system include elucidating the genetic regulators involved in haustorium formation, as well as optimizing environmental and physiological conditions to enhance its biosynthetic capacity for the production of specialized metabolites with therapeutic value. Full article
(This article belongs to the Section Plant Science)
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8 pages, 2685 KiB  
Proceeding Paper
Dye Decolorization Under Visible Light Irradiation Using Bismuth Subcarbonate
by Kentaro Yamauchi, Mai Furukawa, Ikki Tateishi, Hideyuki Katsumata and Satoshi Kaneco
Chem. Proc. 2025, 17(1), 5; https://doi.org/10.3390/chemproc2025017005 - 4 Aug 2025
Viewed by 71
Abstract
Commercially available bismuth subcarbonate (Bi2O2CO3) was treated with nitric acid and the surfactant cetyltrimethylammonium bromide. The treated catalysts exhibited enhanced photocatalytic activity compared to pure Bi2O2CO3 in the decolorization of rhodamine B [...] Read more.
Commercially available bismuth subcarbonate (Bi2O2CO3) was treated with nitric acid and the surfactant cetyltrimethylammonium bromide. The treated catalysts exhibited enhanced photocatalytic activity compared to pure Bi2O2CO3 in the decolorization of rhodamine B (RhB) under visible light irradiation. The absorbance at 554 nm gradually decreased over time and disappeared completely within 80 min. The crystal structure, morphology, and optical properties of the samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-Vis diffuse reflectance spectroscopy (DRS), and photoluminescence (PL) spectroscopy. The improved photocatalytic activity of the treated catalysts was attributed to partial carbonate removal and the formation of Bi5+ species. Scavenger experiments indicated that superoxide radicals (·O2) and photogenerated holes (h+) played significant roles in the photocatalytic decolorization of RhB. Full article
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20 pages, 10502 KiB  
Article
Strengthening Mechanism of Char in Thermal Reduction Process of Silicon Dioxide
by Xiuli Xu, Peng Yu, Jinxiao Dou and Jianglong Yu
Materials 2025, 18(15), 3651; https://doi.org/10.3390/ma18153651 - 3 Aug 2025
Viewed by 253
Abstract
This study investigates the strengthening mechanisms of char in silicon dioxide thermal reduction through systematic high-temperature experiments using three char types (YQ1, CW1, HY1) characterized by X-ray diffraction, Raman spectroscopy, transmission electron microscopy, and scanning electron microscopy. HY1 char demonstrated superior reactivity due [...] Read more.
This study investigates the strengthening mechanisms of char in silicon dioxide thermal reduction through systematic high-temperature experiments using three char types (YQ1, CW1, HY1) characterized by X-ray diffraction, Raman spectroscopy, transmission electron microscopy, and scanning electron microscopy. HY1 char demonstrated superior reactivity due to its highly ordered microcrystalline structure, characterized by the largest aromatic cluster size (La) and lowest defect ratio (ID/IG = 0.37), which directly correlated with enhanced reaction completeness. The carbon–silicon reaction reactivity increased progressively with temperature, achieving optimal performance at 1550 °C. Addition of Fe and Fe2O3 significantly accelerated the reduction process, with Fe2O3 exhibiting superior catalytic performance by reducing activation energy and optimizing reaction kinetics. The ferrosilicon formation mechanism proceeds through a two-stage pathway: initial char-SiO2 reaction producing SiC and CO, followed by SiC–iron interaction generating FeSi, which catalytically promotes further reduction. These findings establish critical structure–performance relationships for char selection in industrial silicon production, where microcrystalline ordering emerges as the primary performance determinant. The identification of optimal temperature and additive conditions provides practical pathways to enhance energy efficiency and product quality in silicon metallurgy, enabling informed raw material selection and process optimization to reduce energy consumption and improve operational stability. Full article
(This article belongs to the Section Carbon Materials)
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14 pages, 4225 KiB  
Article
DFT Investigation into Adsorption–Desorption Properties of Mg/Ni-Doped Calcium-Based Materials
by Wei Shi, Renwei Li, Xin Bao, Haifeng Yang and Dehao Kong
Crystals 2025, 15(8), 711; https://doi.org/10.3390/cryst15080711 - 3 Aug 2025
Viewed by 139
Abstract
Although concentrated solar power (CSP) coupled with calcium looping (CaL) offers a promising avenue for efficient thermal chemical energy storage, calcium-based sorbents suffer from accelerated structural degradation and decreased CO2 capture capacity during multiple cycles. This study used Density Functional Theory (DFT) [...] Read more.
Although concentrated solar power (CSP) coupled with calcium looping (CaL) offers a promising avenue for efficient thermal chemical energy storage, calcium-based sorbents suffer from accelerated structural degradation and decreased CO2 capture capacity during multiple cycles. This study used Density Functional Theory (DFT) calculations to investigate the mechanism by which Mg and Ni doping improves the adsorption/desorption performance of CaO. The DFT results indicate that Mg and Ni doping can effectively reduce the formation energy of oxygen vacancies on the CaO surface. Mg–Ni co-doping exhibits a significant synergistic effect, with the formation energy of oxygen vacancies reduced to 5.072 eV. Meanwhile, the O2− diffusion energy barrier in the co-doped system was reduced to 2.692 eV, significantly improving the ion transport efficiency. In terms of CO2 adsorption, Mg and Ni co-doping enhances the interaction between surface O atoms and CO2, increasing the adsorption energy to −1.703 eV and forming a more stable CO32− structure. For the desorption process, Mg and Ni co-doping restructured the CaCO3 surface structure, reducing the CO2 desorption energy barrier to 3.922 eV and significantly promoting carbonate decomposition. This work reveals, at the molecular level, how Mg and Ni doping optimizes adsorption–desorption in calcium-based materials, providing theoretical guidance for designing high-performance sorbents. Full article
(This article belongs to the Special Issue Performance and Processing of Metal Materials)
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23 pages, 2750 KiB  
Article
Seasonal Sea Surface Temperatures from Mercenaria spp. During the Plio-Pleistocene: Oxygen Isotope Versus Clumped Isotope Paleothermometers
by Garrett F. N. Braniecki, Donna Surge and Ethan G. Hyland
Geosciences 2025, 15(8), 295; https://doi.org/10.3390/geosciences15080295 - 2 Aug 2025
Viewed by 199
Abstract
The Mid-Piacenzian Warm Interval (MPWI) is marked by warmer temperatures and higher atmospheric CO2 levels than today, making it an analogue for late-21st-century-warming, whereas the early Pleistocene cooling is more like today. We compare seasonal growth temperatures derived from oxygen isotope ratios [...] Read more.
The Mid-Piacenzian Warm Interval (MPWI) is marked by warmer temperatures and higher atmospheric CO2 levels than today, making it an analogue for late-21st-century-warming, whereas the early Pleistocene cooling is more like today. We compare seasonal growth temperatures derived from oxygen isotope ratios (δ18O) and clumped isotopes (∆47) in Mercenaria. Modern shells were previously collected from coastal NC. The fossil shells are from the Duplin (MPWI) and Waccamaw Formations (early Pleistocene), NC. Oxygen isotope ratios range from −2.2‰ to 2.3‰ (modern), −0.9‰ to 2.4‰ (MPWI), and −0.9‰ to 2.9‰ (early Pleistocene). The values of Δ47 range from 0.576‰ to 0.639‰ (modern), 0.566‰ to 0.621‰ (MPWI), and 0.581‰ to 0.615‰ (early Pleistocene). We show that Mercenaria do not require a species-specific ∆47 calibration. Modern and MPWI ∆47-derived summer/winter temperatures (SST∆47) and seasonal amplitudes are indistinguishable from δ18O-derived temperatures. The early Pleistocene summer SST∆47 is indistinguishable from δ18O-derived temperatures, but the winter SST∆47 is warmer by 5 °C and may reflect within-shell time averaging. The modern summer/winter SST∆47 are indistinguishable from the MPWI, but the MPWI has a lower seasonal amplitude by 5 °C. Compared to our calculated δ18Osw values, modeled values for the MPWI are within error but are much lower, and they are not within error for the early Pleistocene. Full article
(This article belongs to the Special Issue Pliocene Studies in Paleobiology, Paleoenvironment and Paleoclimate)
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