2 and 4 wt % of cationic copolymer (dimethylaminoethyl methacrylate: butyl methacrylate) designed eudragit (Eud) with a fixed quantity of thioglycolic acid (TGA) doped copper tungstate (CuWO4) nanocomposite (NC) were prepared using a co-precipitation approach. A range of characterization techniques was employed to analyze the structural, optical, and compositional characteristics of prepared NC. XRD analysis confirmed the monoclinic and anorthic crystal structure of CuWO4, addition of Eud and TGA resulted in increased crystallinity of CuWO4. FTIR spectra verified the presence of vibrational modes related to CuWO4. The electronic spectra demonstrated an increased absorption window and redshift with Eud and TGA, leading to the reduction in bandgap energy (Eg). FESEM analysis elucidates the flakes and rod-like structures on the surface of CuWO4 with dopants. 4 wt % Eud/TGA-CuWO4 revealed a significant reduction of methyl orange (MO) dye in a neutral medium. Furthermore, the bactericidal effectiveness was tested against S. aureus, demonstrating a remarkable inhibition zone (7.35 mm). The mechanism behind the bactericidal action of TGA-CuWO4, Eud/TGA-CuWO4 NC against DNA gyrase S. aureus (Gram + ve) was studied using molecular docking.
{"title":"Ternary system cationic copolymer (dimethylaminoethyl methacrylate: Butyl methacrylate)/thioglycolic acid doped copper tungstate nanocomposite for environmental remediation and pathogen control supported by molecular docking analysis","authors":"Abdikani Hussein Mohamed Kadie , Ali Haider , Anum Shahzadi , Anwar Ul-Hamid , Hameed Ullah , Amel Ayari-Akkari , Zernab Mateen , Muhammad Ikram","doi":"10.1016/j.matchemphys.2025.130635","DOIUrl":"10.1016/j.matchemphys.2025.130635","url":null,"abstract":"<div><div>2 and 4 wt % of cationic copolymer (dimethylaminoethyl methacrylate: butyl methacrylate) designed eudragit (Eud) with a fixed quantity of thioglycolic acid (TGA) doped copper tungstate (CuWO<sub>4</sub>) nanocomposite (NC) were prepared using a co-precipitation approach. A range of characterization techniques was employed to analyze the structural, optical, and compositional characteristics of prepared NC. XRD analysis confirmed the monoclinic and anorthic crystal structure of CuWO<sub>4</sub>, addition of Eud and TGA resulted in increased crystallinity of CuWO<sub>4</sub>. FTIR spectra verified the presence of vibrational modes related to CuWO<sub>4</sub>. The electronic spectra demonstrated an increased absorption window and redshift with Eud and TGA, leading to the reduction in bandgap energy (Eg). FESEM analysis elucidates the flakes and rod-like structures on the surface of CuWO<sub>4</sub> with dopants. 4 wt % Eud/TGA-CuWO<sub>4</sub> revealed a significant reduction of methyl orange (MO) dye in a neutral medium. Furthermore, the bactericidal effectiveness was tested against <em>S. aureus</em>, demonstrating a remarkable inhibition zone (7.35 mm). The mechanism behind the bactericidal action of TGA-CuWO<sub>4</sub>, Eud/TGA-CuWO<sub>4</sub> NC against DNA gyrase <em>S. aureus</em> (Gram + ve) was studied using molecular docking.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130635"},"PeriodicalIF":4.3,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-05DOI: 10.1016/j.matchemphys.2025.130627
Om Priya Nanda, Sumit Chahal, Sushmee Badhulika
Solid-state supercapacitors represent a transformative advancement in energy storage technology, effectively addressing critical issues such as flammability and leakage associated with liquid electrolyte systems. This study presents an innovative and eco-friendly microwave irradiation method for the rapid synthesis of MnO2-Graphene (MnO2-Gr) hybrid material, which significantly enhances the reaction kinetics and minimizes environmental impact through reduced processing times and energy consumption. The formation of the MnO2-Gr hybrid is confirmed through advanced physicochemical characterizations, including X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), revealing unique two-dimensional (2D) nanosheet morphology. This structure not only promotes efficient ion diffusion but also increases the electroactive surface area, which is crucial for improving charge carrier accessibility and enhancing overall electrochemical performance. Electrochemical evaluations using a 2 M KOH electrolyte in a three-electrode configuration demonstrate outstanding performance, achieving a specific capacitance of 628.28 F/g at 1 A/g within a potential window of −0.5 to 0.5 V. Further, the development of a solid-state symmetric supercapacitor device utilizing the MnO2-Gr hybrid showcases exceptional metrics, with an energy density of 51.68 Wh/kg and a power density of 650 W/kg. Notably, the device maintains a specific capacitance of 218 F/g at 1 A/g and exhibits remarkable capacitance retention of 78.6 % over 20,000 cycles at 8 A/g, underscoring its long-term stability. This research not only elucidates the synthesis and characterization of MnO2-Gr hybrid materials but also highlights their significant potential for next-generation supercapacitor technologies. The findings pave the way for enhanced energy storage solutions applicable in renewable energy systems and portable electronics, positioning MnO2-Gr hybrids as key players in advancing sustainable energy storage technologies.
{"title":"Rapid and sustainable microwave synthesis of two-dimensional (2D) MnO2-Graphene hybrid nanostructures for high-efficiency solid-state symmetric supercapacitors with superior cycling stability","authors":"Om Priya Nanda, Sumit Chahal, Sushmee Badhulika","doi":"10.1016/j.matchemphys.2025.130627","DOIUrl":"10.1016/j.matchemphys.2025.130627","url":null,"abstract":"<div><div>Solid-state supercapacitors represent a transformative advancement in energy storage technology, effectively addressing critical issues such as flammability and leakage associated with liquid electrolyte systems. This study presents an innovative and eco-friendly microwave irradiation method for the rapid synthesis of MnO<sub>2</sub>-Graphene (MnO<sub>2</sub>-Gr) hybrid material, which significantly enhances the reaction kinetics and minimizes environmental impact through reduced processing times and energy consumption. The formation of the MnO<sub>2</sub>-Gr hybrid is confirmed through advanced physicochemical characterizations, including X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM), revealing unique two-dimensional (2D) nanosheet morphology. This structure not only promotes efficient ion diffusion but also increases the electroactive surface area, which is crucial for improving charge carrier accessibility and enhancing overall electrochemical performance. Electrochemical evaluations using a 2 M KOH electrolyte in a three-electrode configuration demonstrate outstanding performance, achieving a specific capacitance of 628.28 F/g at 1 A/g within a potential window of −0.5 to 0.5 V. Further, the development of a solid-state symmetric supercapacitor device utilizing the MnO<sub>2</sub>-Gr hybrid showcases exceptional metrics, with an energy density of 51.68 Wh/kg and a power density of 650 W/kg. Notably, the device maintains a specific capacitance of 218 F/g at 1 A/g and exhibits remarkable capacitance retention of 78.6 % over 20,000 cycles at 8 A/g, underscoring its long-term stability. This research not only elucidates the synthesis and characterization of MnO<sub>2</sub>-Gr hybrid materials but also highlights their significant potential for next-generation supercapacitor technologies. The findings pave the way for enhanced energy storage solutions applicable in renewable energy systems and portable electronics, positioning MnO<sub>2</sub>-Gr hybrids as key players in advancing sustainable energy storage technologies.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130627"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-05DOI: 10.1016/j.matchemphys.2025.130628
Jyoti R. Nagarale , Rupesh S. Pedanekar , Amitkumar R. Patil , Vinayak V. Ganbavle , Vinayak G. Parale , Keshav Y. Rajpure , Sudhir N. Kulkarni
In this study, (X = 0.6) ferrites were synthesized via the sol-gel method, with a detailed investigation into the effects of annealing temperatures (400, 500, 600, and 700 °C) on their properties. X-ray diffraction (XRD), Fourier-transform infrared (FTIR) spectroscopy, and Raman spectroscopy confirmed the formation of a cubic spinel structure in the synthesized ferrites. The comprehensive crystalline analysis is carried out using the Williamson-Hall plot and Nelson-Riley function plot. FTIR confirmed two characteristic absorption peaks for cubic spinel ferrite around 460 cm−1 and 580 cm−1. X-ray photoelectron spectroscopy (XPS) confirmed the chemical states of each element in the Li–Ni ferrite. UV–Vis diffuse reflectance spectroscopy (UV-DRS) revealed the bandgap energies of samples. The photocatalytic activity of Li–Ni ferrite for the degradation of rhodamine B, methylene blue, and methyl orange dyes was also studied, with samples annealed at 600 °C showing significant degradation efficiency. This high performance is attributed to enhanced crystallinity, favorable defect characteristics, and optimal optical properties. Overall, this work highlights Li–Ni ferrite as a highly effective photocatalyst for dye removal applications.
{"title":"Enhancing dye degradation with Li–Ni ferrite: A sol-gel auto-combustion synthesis strategy with temperature tunable properties","authors":"Jyoti R. Nagarale , Rupesh S. Pedanekar , Amitkumar R. Patil , Vinayak V. Ganbavle , Vinayak G. Parale , Keshav Y. Rajpure , Sudhir N. Kulkarni","doi":"10.1016/j.matchemphys.2025.130628","DOIUrl":"10.1016/j.matchemphys.2025.130628","url":null,"abstract":"<div><div>In this study, <span><math><mrow><msub><mrow><mi>L</mi><mi>i</mi></mrow><mrow><mn>0.5</mn><mo>−</mo><mfrac><mi>x</mi><mn>2</mn></mfrac></mrow></msub><msub><mrow><mi>N</mi><mi>i</mi></mrow><mi>x</mi></msub><msub><mrow><mi>F</mi><mi>e</mi></mrow><mrow><mn>2.5</mn><mo>−</mo><mfrac><mi>x</mi><mn>2</mn></mfrac></mrow></msub><msub><mi>O</mi><mn>4</mn></msub></mrow></math></span> (X = 0.6) ferrites were synthesized via the sol-gel method, with a detailed investigation into the effects of annealing temperatures (400, 500, 600, and 700 °C) on their properties. X-ray diffraction (XRD), Fourier-transform infrared (FTIR) spectroscopy, and Raman spectroscopy confirmed the formation of a cubic spinel structure in the synthesized ferrites. The comprehensive crystalline analysis is carried out using the Williamson-Hall plot and Nelson-Riley function plot. FTIR confirmed two characteristic absorption peaks for cubic spinel ferrite around 460 cm<sup>−1</sup> and 580 cm<sup>−1</sup>. X-ray photoelectron spectroscopy (XPS) confirmed the chemical states of each element in the Li–Ni ferrite. UV–Vis diffuse reflectance spectroscopy (UV-DRS) revealed the bandgap energies of samples. The photocatalytic activity of Li–Ni ferrite for the degradation of rhodamine B, methylene blue, and methyl orange dyes was also studied, with samples annealed at 600 °C showing significant degradation efficiency. This high performance is attributed to enhanced crystallinity, favorable defect characteristics, and optimal optical properties. Overall, this work highlights Li–Ni ferrite as a highly effective photocatalyst for dye removal applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130628"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-05DOI: 10.1016/j.matchemphys.2025.130680
Shuoyang Wang , Yiqi Zhou , Yikun Liu , Zhanshu Yue , Yunhua Huang , Xiaogang Li
Railway steel plays critical role in railway tracks, which influences the safety of this system. In this work, the effect of vanadium on the SCC under anodic dissolution (AD) and hydrogen embrittlement (HE) mode of railway steel is investigated. A high-strength railway steel is alloyed with 0.08 wt % vanadium and compared with the original steel. The results indicate that adding V reduces the galvanic effect between phases in the railway steel, then decreases the general corrosion rate, and retards the formation of localized corrosion, which is the crack source. Therefore, V reduces the AD-SCC risk from the elongation loss of railway steel from 69.6 % to 44.5 % under open circuit potential (OCP) conditions. Additionally, V refines the interlamellar spacing of pearlite, resulting in a longer length between ferrite and cementite, which is a hydrogen storage site. Therefore, the elongation loss at a hydrogen evolution potential is 82.6 % for the railway steel containing V, which is 5.4 % lower than steel without V, indicating V improve the HE-SCC resistance. Overall, V exhibits a reduced risk of AD-SCC, characterized by a lower likelihood of localized corrosion initiation and slower corrosion propagation rates. Furthermore, it offers an increased number of hydrogen trap sites, which help prevent the accumulation of high hydrogen concentrations within the material, ultimately enhancing its resistance to HE-SCC.
{"title":"Effect of vanadium on stress corrosion cracking for high-strength railway steel in simulated SO2-polluted environment","authors":"Shuoyang Wang , Yiqi Zhou , Yikun Liu , Zhanshu Yue , Yunhua Huang , Xiaogang Li","doi":"10.1016/j.matchemphys.2025.130680","DOIUrl":"10.1016/j.matchemphys.2025.130680","url":null,"abstract":"<div><div>Railway steel plays critical role in railway tracks, which influences the safety of this system. In this work, the effect of vanadium on the SCC under anodic dissolution (AD) and hydrogen embrittlement (HE) mode of railway steel is investigated. A high-strength railway steel is alloyed with 0.08 wt % vanadium and compared with the original steel. The results indicate that adding V reduces the galvanic effect between phases in the railway steel, then decreases the general corrosion rate, and retards the formation of localized corrosion, which is the crack source. Therefore, V reduces the AD-SCC risk from the elongation loss of railway steel from 69.6 % to 44.5 % under open circuit potential (OCP) conditions. Additionally, V refines the interlamellar spacing of pearlite, resulting in a longer length between ferrite and cementite, which is a hydrogen storage site. Therefore, the elongation loss at a hydrogen evolution potential is 82.6 % for the railway steel containing V, which is 5.4 % lower than steel without V, indicating V improve the HE-SCC resistance. Overall, V exhibits a reduced risk of AD-SCC, characterized by a lower likelihood of localized corrosion initiation and slower corrosion propagation rates. Furthermore, it offers an increased number of hydrogen trap sites, which help prevent the accumulation of high hydrogen concentrations within the material, ultimately enhancing its resistance to HE-SCC.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130680"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Herein, FeCeO2-δ catalyst samples with different Fe doping content were prepared by self-propagation high-temperature synthesis, and the physical and chemical properties of different FeCeO2-δ catalyst samples were characterized by XRD, BET, TEM, H2-TPR, XPS and NO-TPO, and the catalytic oxidation performance of FeCeO2-δ catalyst samples for the oxidation of soot particles was studied. Besides, the catalytic oxidation mechanism of soot particles by NOx-assisted FeCeO2-δ catalyst was studied by In-situ DRIFTS. The results show that the Fe0.2Ce0.8O2-δ catalyst sample shows the best catalytic activity of soot particles, and T10 %, T50 % and T90 % are 345 °C, 433 °C and 518 °C, respectively. The calculated activation energy Ea is 58.30 kJ/mol. FeCeO2-δ catalyst samples with less Fe content are beneficial to the formation of solid solution and have higher specific surface area. The lattice constant and average crystallite size of Fe0.2Ce0.8O2-δ reach the minimum, and the surface particles are uniformly dispersed, forming the most Fe–Ce solid solution with a specific surface area of 54.8 m2/g. Among all FeCeO2-δ catalyst samples, Fe0.1Ce0.9O2-δ and Fe0.2Ce0.8O2-δ samples are the most easily oxidized and reduced, but when the Fe content in the samples is further increased, it is unfavorable to the redox cycle of Fe3+ and Fe2+ because of the aggregation of Fe2O3 particles on the catalyst surface. The contents of reduced Ce3+ and adsorbed oxygen on the surface of Fe0.2Ce0.8O2-δ samples are the highest, and their changing rules are consistent. The doping of Fe can obviously enhance the activity of CeO2 in catalytic oxidation of NO, and the Fe0.2Ce0.8O2-δ catalyst sample shows the best NO oxidation activity. Due to the weak adsorption of NOx on FeCeO2-δ catalyst samples, NO is the main desorption product in the temperature range of 50 °C–200 C NOx adsorbed on FeCeO2-δ catalyst surface mainly exists in the form of nitrite and nitrate species, and the stability of nitrate species on the surface is stronger than that of nitrite species.
{"title":"Study on the effect and mechanism of Fe doping on Fe0.2Ce0.8O2-δ CDPF catalyst for NOx-assisted soot catalytic oxidation","authors":"Bin Guan, Junyan Chen, Zhongqi Zhuang, Lei Zhu, Zeren Ma, Xuehan Hu, Chenyu Zhu, Sikai Zhao, Kaiyou Shu, Hongtao Dang, Junjie Gao, Luyang Zhang, Tiankui Zhu, Zhen Huang","doi":"10.1016/j.matchemphys.2025.130636","DOIUrl":"10.1016/j.matchemphys.2025.130636","url":null,"abstract":"<div><div>Herein, FeCeO<sub>2-δ</sub> catalyst samples with different Fe doping content were prepared by self-propagation high-temperature synthesis, and the physical and chemical properties of different FeCeO<sub>2-δ</sub> catalyst samples were characterized by XRD, BET, TEM, H<sub>2</sub>-TPR, XPS and NO-TPO, and the catalytic oxidation performance of FeCeO<sub>2-δ</sub> catalyst samples for the oxidation of soot particles was studied. Besides, the catalytic oxidation mechanism of soot particles by NO<sub><em>x</em></sub>-assisted FeCeO<sub>2-δ</sub> catalyst was studied by In-situ DRIFTS. The results show that the Fe<sub>0.2</sub>Ce<sub>0.8</sub>O<sub>2-δ</sub> catalyst sample shows the best catalytic activity of soot particles, and T<sub>10 %</sub>, T<sub>50 %</sub> and T<sub>90 %</sub> are 345 °C, 433 °C and 518 °C, respectively. The calculated activation energy E<sub>a</sub> is 58.30 kJ/mol. FeCeO<sub>2-δ</sub> catalyst samples with less Fe content are beneficial to the formation of solid solution and have higher specific surface area. The lattice constant and average crystallite size of Fe<sub>0.2</sub>Ce<sub>0.8</sub>O<sub>2-δ</sub> reach the minimum, and the surface particles are uniformly dispersed, forming the most Fe–Ce solid solution with a specific surface area of 54.8 m<sup>2</sup>/g. Among all FeCeO<sub>2-δ</sub> catalyst samples, Fe<sub>0.1</sub>Ce<sub>0.9</sub>O<sub>2-δ</sub> and Fe<sub>0.2</sub>Ce<sub>0.8</sub>O<sub>2-δ</sub> samples are the most easily oxidized and reduced, but when the Fe content in the samples is further increased, it is unfavorable to the redox cycle of Fe<sup>3+</sup> and Fe<sup>2+</sup> because of the aggregation of Fe<sub>2</sub>O<sub>3</sub> particles on the catalyst surface. The contents of reduced Ce<sup>3+</sup> and adsorbed oxygen on the surface of Fe<sub>0.2</sub>Ce<sub>0.8</sub>O<sub>2-δ</sub> samples are the highest, and their changing rules are consistent. The doping of Fe can obviously enhance the activity of CeO<sub>2</sub> in catalytic oxidation of NO, and the Fe<sub>0.2</sub>Ce<sub>0.8</sub>O<sub>2-δ</sub> catalyst sample shows the best NO oxidation activity. Due to the weak adsorption of NO<sub><em>x</em></sub> on FeCeO<sub>2-δ</sub> catalyst samples, NO is the main desorption product in the temperature range of 50 °C–200 C NO<sub><em>x</em></sub> adsorbed on FeCeO<sub>2-δ</sub> catalyst surface mainly exists in the form of nitrite and nitrate species, and the stability of nitrate species on the surface is stronger than that of nitrite species.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130636"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143551202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-05DOI: 10.1016/j.matchemphys.2025.130679
Smarajit Punay Kanti, B.N. Sahoo
In recent years, magnesium (Mg) sheets have emerged as a prominent structural material in the transportation and aerospace industries, where they are exposed to significant mechanical and thermal stresses. To enhance their performance, it is critical to define optimal workability zones across different temperatures and strain rates, particularly for highly deformed Mg sheets. This study investigates high-temperature deformation behavior of coarse-grained (CG) and fine-grained (FG) AZ31 Mg alloy sheets produced through novel hot rolling (HR) process with 40 % thickness reduction per pass. The HR process reduced the grain size in FG materials to 8 μm, compared to an initial grain size of 160 μm in CG materials. The deformation characteristics were evaluated through a constitutive model that includes flow stress, deformation activation energy, and processing maps over a range of strain rates (0.001–10 s−1) and temperatures (250 °C-450 °C). Processing maps identified both stable and instable zones during high-temperature tensile deformation, with dynamic recovery (DRV) governing stable regions of CG, while dislocation climb drives FG Mg sheet. The instability was marked by twinning, stress localization, and cracking for both materials. The FG Mg sheet exhibited a lower average activation energy (144 kJ/mol) than the CG material (156 kJ/mol). A comprehensive microstructural analysis using EBSD, SEM, and TEM provided visual validation of deformation mechanisms predicted by the constitutive model and processing maps.
{"title":"High-temperature deformation behaviour of coarse-grained and fine-grained magnesium sheets: Insights from processing maps and constitutive modelling","authors":"Smarajit Punay Kanti, B.N. Sahoo","doi":"10.1016/j.matchemphys.2025.130679","DOIUrl":"10.1016/j.matchemphys.2025.130679","url":null,"abstract":"<div><div>In recent years, magnesium (Mg) sheets have emerged as a prominent structural material in the transportation and aerospace industries, where they are exposed to significant mechanical and thermal stresses. To enhance their performance, it is critical to define optimal workability zones across different temperatures and strain rates, particularly for highly deformed Mg sheets. This study investigates high-temperature deformation behavior of coarse-grained (CG) and fine-grained (FG) AZ31 Mg alloy sheets produced through novel hot rolling (HR) process with 40 % thickness reduction per pass. The HR process reduced the grain size in FG materials to 8 μm, compared to an initial grain size of 160 μm in CG materials. The deformation characteristics were evaluated through a constitutive model that includes flow stress, deformation activation energy, and processing maps over a range of strain rates (0.001–10 s<sup>−1</sup>) and temperatures (250 °C-450 °C). Processing maps identified both stable and instable zones during high-temperature tensile deformation, with dynamic recovery (DRV) governing stable regions of CG, while dislocation climb drives FG Mg sheet. The instability was marked by twinning, stress localization, and cracking for both materials. The FG Mg sheet exhibited a lower average activation energy (144 kJ/mol) than the CG material (156 kJ/mol). A comprehensive microstructural analysis using EBSD, SEM, and TEM provided visual validation of deformation mechanisms predicted by the constitutive model and processing maps.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130679"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591979","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The development and utilization of innovative, highly efficient photocatalysts have become a central focus in removing environmental pollutants. This study presents the novel creation of an n-n heterojunction comprised of NaBiS2 and sulfur-doped g-C3N4 nanosheet, a metal-free semiconductor. This innovative photocatalyst is designed to be active under visible light and has been utilized for the first time for the photocatalytic degradation of methyl orange. To effectively use the prepared photocatalyst for environmental purification, the influence of various factors including the initial concentration of methyl orange, the differing weight ratios of the catalyst components, and the initial pH of the reaction medium on the photocatalytic process was examined. The findings revealed that under optimal conditions (30 % by weight of NaBiS2, pH 3, and 5 mg L−1 dye concentration), the degradation efficiency of methyl orange was obtained as 98.3 % within 150 min, which is significantly higher than that of NaBiS2 and S-g-C3N4. This suggests a beneficial synergy between the two semiconductors, enhanced by sulfur doping, which promotes the separation of charge carriers. The improved photocatalytic efficiency can be primarily linked to the internal electric field that facilitates charge transfer between NaBiS2 and S-g-C3N4, along with a prolonged charge carrier lifetime, as evidenced by photoluminescence and photocurrent analyses. Furthermore, findings from the inhibition tests and Mott-Schottky measurements suggest that the mechanism of heterogeneous charge transfer operates under an n-n-type model.
{"title":"Enhanced charge separation in n-n type sulfur-doped g-C3N4 nanosheets/NaBiS2 heterojunction photocatalyst: Insights into the preparation, characterization, and mechanism of photocatalytic degradation of methyl orange","authors":"Soroush Asadi , Jahan B. Ghasemi , Elika Salehi Ghalehsefid , Maryam Shekofteh-Gohari , Mitra Mousavi","doi":"10.1016/j.matchemphys.2025.130575","DOIUrl":"10.1016/j.matchemphys.2025.130575","url":null,"abstract":"<div><div>The development and utilization of innovative, highly efficient photocatalysts have become a central focus in removing environmental pollutants. This study presents the novel creation of an n-n heterojunction comprised of NaBiS<sub>2</sub> and sulfur-doped g-C<sub>3</sub>N<sub>4</sub> nanosheet, a metal-free semiconductor. This innovative photocatalyst is designed to be active under visible light and has been utilized for the first time for the photocatalytic degradation of methyl orange. To effectively use the prepared photocatalyst for environmental purification, the influence of various factors including the initial concentration of methyl orange, the differing weight ratios of the catalyst components, and the initial pH of the reaction medium on the photocatalytic process was examined. The findings revealed that under optimal conditions (30 % by weight of NaBiS<sub>2</sub>, pH 3, and 5 mg L<sup>−1</sup> dye concentration), the degradation efficiency of methyl orange was obtained as 98.3 % within 150 min, which is significantly higher than that of NaBiS<sub>2</sub> and S-g-C<sub>3</sub>N<sub>4</sub>. This suggests a beneficial synergy between the two semiconductors, enhanced by sulfur doping, which promotes the separation of charge carriers. The improved photocatalytic efficiency can be primarily linked to the internal electric field that facilitates charge transfer between NaBiS<sub>2</sub> and S-g-C<sub>3</sub>N<sub>4</sub>, along with a prolonged charge carrier lifetime, as evidenced by photoluminescence and photocurrent analyses. Furthermore, findings from the inhibition tests and Mott-Schottky measurements suggest that the mechanism of heterogeneous charge transfer operates under an n-n-type model.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"338 ","pages":"Article 130575"},"PeriodicalIF":4.3,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-04DOI: 10.1016/j.matchemphys.2025.130639
Rishi Ranjan Kumar , Shivam Gupta , Hai-Feng Huang , Thangapandian Murugesan , Nyan-Hwa Tai , Heh-Nan Lin
This study delves into the effects of light intensity on In2O3 gas sensors, offering a detailed analysis of how light impacts the adsorption and desorption dynamics at the sensor surface. Light activation has been widely employed in chemiresistive gas sensing, but little exploration of the light intensity effect on molecular kinetics can be found. A low-temperature direct growth of In2O3 microflowers on the patterned substrate has been acquired via a facile hydrothermal approach, and the growth mechanism has been proposed. Various UV light intensities (0.4, 0.8, 2, and 3.2 mW cm−2) have been employed. The sensor with a light intensity of 2 mW cm−2 shows the highest response of 1224% toward 500 ppb NO2. The outstanding performance is attributed to its porous surface, high specific surface area and additional active edge sites. The relationship between photon flux and sensor response has been analyzed, leading to the derivation of a second-order quadratic equation that describes the kinetic constant as a function of varying light intensity. This study provides valuable insights into optimizing light-driven gas sensors, which could enhance the sensitivity and efficiency of semiconductor-based sensor technologies in the industry.
{"title":"Light intensity effects on the performance of In2O3 gas sensors: Insights into adsorption and desorption dynamics","authors":"Rishi Ranjan Kumar , Shivam Gupta , Hai-Feng Huang , Thangapandian Murugesan , Nyan-Hwa Tai , Heh-Nan Lin","doi":"10.1016/j.matchemphys.2025.130639","DOIUrl":"10.1016/j.matchemphys.2025.130639","url":null,"abstract":"<div><div>This study delves into the effects of light intensity on In<sub>2</sub>O<sub>3</sub> gas sensors, offering a detailed analysis of how light impacts the adsorption and desorption dynamics at the sensor surface. Light activation has been widely employed in chemiresistive gas sensing, but little exploration of the light intensity effect on molecular kinetics can be found. A low-temperature direct growth of In<sub>2</sub>O<sub>3</sub> microflowers on the patterned substrate has been acquired via a facile hydrothermal approach, and the growth mechanism has been proposed. Various UV light intensities (0.4, 0.8, 2, and 3.2 mW cm<sup>−2</sup>) have been employed. The sensor with a light intensity of 2 mW cm<sup>−2</sup> shows the highest response of 1224% toward 500 ppb NO<sub>2</sub>. The outstanding performance is attributed to its porous surface, high specific surface area and additional active edge sites. The relationship between photon flux and sensor response has been analyzed, leading to the derivation of a second-order quadratic equation that describes the kinetic constant as a function of varying light intensity. This study provides valuable insights into optimizing light-driven gas sensors, which could enhance the sensitivity and efficiency of semiconductor-based sensor technologies in the industry.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130639"},"PeriodicalIF":4.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548596","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-04DOI: 10.1016/j.matchemphys.2025.130556
S. Sudheer Khan , J.P. Steffy , M. Swedha , Asad Syed , Abdallah M. Elgorban , Islem Abid , Ling Shing Wong
The extensive use of synthetic dyes in the textile industry has resulted in significant water contamination, prompting the need for effective remediation strategies. Rhodamine B (Rh B), a persistent dye known for its stability and toxicity, poses environmental and human health risks. In response, this study investigates catalytic degradation as a promising solution, with MoS2 nanoparticles demonstrating exceptional performance. Synthesized MoS2 nanorods with a porous structure were analyzed using scanning electron microscopy and high-resolution transmission electron microscopy, and its enhanced catalytic activity for the degradation of Rh B. X-ray diffraction confirms the hexagonal crystalline structure of MoS2, while X-ray photoelectron spectroscopy (XPS) reveals its Mo4+ oxidation state, contributing to its catalytic activity. Catalytic degradation experiments reveal MoS2's superior catalytic efficiency and it was determined to be 96.8 % in 45 min. Recyclability studies affirm MoS2's stability over six cycles, indicating its practical applicability for wastewater treatment. The intermediates formed were identified with the help of GC/MS analysis and elucidates the Rh B degradation pathway. ECOSAR analysis further supports the environmental benefits of catalytic degradation, showing the conversion of Rh B into less harmful compounds. The intermediates formed were non-toxic to algae, daphnia and fish. The novelty lies on the remarkable catalytic efficiency of porous MoS2 nanorods in degrading persistent synthetic dyes like Rh B, offering a sustainable solution for textile wastewater treatment. Their excellent recyclability and minimal environmental impact make them a promising candidate for addressing water contamination challenges. By converting harmful dyes into non-toxic compounds, MoS2 paves the way for more eco-friendly and efficient remediation strategies in industries relying on synthetic dyes.
{"title":"Topotactic synthesis of shape-tuned MoS2 nanorods as self-template interfacial ensemble-induced catalysis towards degradation of organic pollutants","authors":"S. Sudheer Khan , J.P. Steffy , M. Swedha , Asad Syed , Abdallah M. Elgorban , Islem Abid , Ling Shing Wong","doi":"10.1016/j.matchemphys.2025.130556","DOIUrl":"10.1016/j.matchemphys.2025.130556","url":null,"abstract":"<div><div>The extensive use of synthetic dyes in the textile industry has resulted in significant water contamination, prompting the need for effective remediation strategies. Rhodamine B (Rh B), a persistent dye known for its stability and toxicity, poses environmental and human health risks. In response, this study investigates catalytic degradation as a promising solution, with MoS<sub>2</sub> nanoparticles demonstrating exceptional performance. Synthesized MoS<sub>2</sub> nanorods with a porous structure were analyzed using scanning electron microscopy and high-resolution transmission electron microscopy, and its enhanced catalytic activity for the degradation of Rh B. X-ray diffraction confirms the hexagonal crystalline structure of MoS<sub>2</sub>, while X-ray photoelectron spectroscopy (XPS) reveals its Mo<sup>4+</sup> oxidation state, contributing to its catalytic activity. Catalytic degradation experiments reveal MoS<sub>2</sub>'s superior catalytic efficiency and it was determined to be 96.8 % in 45 min. Recyclability studies affirm MoS<sub>2</sub>'s stability over six cycles, indicating its practical applicability for wastewater treatment. The intermediates formed were identified with the help of GC/MS analysis and elucidates the Rh B degradation pathway. ECOSAR analysis further supports the environmental benefits of catalytic degradation, showing the conversion of Rh B into less harmful compounds. The intermediates formed were non-toxic to algae, daphnia and fish. The novelty lies on the remarkable catalytic efficiency of porous MoS<sub>2</sub> nanorods in degrading persistent synthetic dyes like Rh B, offering a sustainable solution for textile wastewater treatment. Their excellent recyclability and minimal environmental impact make them a promising candidate for addressing water contamination challenges. By converting harmful dyes into non-toxic compounds, MoS<sub>2</sub> paves the way for more eco-friendly and efficient remediation strategies in industries relying on synthetic dyes.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130556"},"PeriodicalIF":4.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548598","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-03-04DOI: 10.1016/j.matchemphys.2025.130557
Arpad Mihai Rostas , Ramona-Crina Suciu , Marcela-Corina Roşu , Alexandru Turza , Dragoş-Viorel Cosma , Septimiu Tripon , Carmen Ioana Fort , Virginia Danciu , Monica Baia , Amelia Bocirnea , Emil Indrea
Ag-decorated TiO2 aerogels were synthesized using an acid-catalyzed sol–gel method, followed by drying under supercritical CO2 and annealing within the temperature range of 350–500 °C, with 50 °C increments. This study explores the preparation-structure-performance relationships of aerogels influenced by the annealing process, focusing on their morphological, (micro)structural, optical, and textural properties and surface defects concerning photocatalytic activity. X-ray diffraction (XRD) and Raman spectroscopy confirmed that all aerogels exhibited a single anatase phase of TiO2, while electron microscopy (SEM/TEM) and XPS analysis demonstrated the presence of components. Increasing the annealing temperature resulted in particle size and pore structure changes, reducing the aerogel’s overall surface area and porosity, as observed by SEM and nitrogen (N2) sorption analysis. Additionally, according to the Williamson-Hall (W-H) analysis based on the X-ray peak profile, the lattice microstrain value decreased while the crystallite size increased with rising annealing temperature. Optical investigation showed a strong UV light absorption characteristic of TiO2 and a visible light absorption band attributed to the plasmonic effect of silver nanoparticles. Moreover, a gradual photoluminescence (PL) quenching trend was observed with decreasing annealing temperature, indicating a reduction in the recombination rate of photo-induced electrons and holes in , alongside the formation of oxygen vacancies and structural defects, consistent with electron paramagnetic resonance (EPR) measurements. The Ag-decorated TiO2 aerogels demonstrated enhanced visible-light photocatalytic activity for methylene blue (MB) degradation, with the aerogel annealed at 500 °C exhibiting the highest photocatalytic performance. This improvement can be attributed to the synergistic effects of chemical composition, plasmonic enhancement, morphological properties, and light absorption characteristics.
{"title":"Annealing temperature, a key factor in shaping Ag-decorated TiO2 aerogels as efficient visible-light photocatalysts","authors":"Arpad Mihai Rostas , Ramona-Crina Suciu , Marcela-Corina Roşu , Alexandru Turza , Dragoş-Viorel Cosma , Septimiu Tripon , Carmen Ioana Fort , Virginia Danciu , Monica Baia , Amelia Bocirnea , Emil Indrea","doi":"10.1016/j.matchemphys.2025.130557","DOIUrl":"10.1016/j.matchemphys.2025.130557","url":null,"abstract":"<div><div>Ag-decorated TiO<sub>2</sub> aerogels were synthesized using an acid-catalyzed sol–gel method, followed by drying under supercritical CO<sub>2</sub> and annealing within the temperature range of 350–500 °C, with 50 °C increments. This study explores the preparation-structure-performance relationships of <figure><img></figure> aerogels influenced by the annealing process, focusing on their morphological, (micro)structural, optical, and textural properties and surface defects concerning photocatalytic activity. X-ray diffraction (XRD) and Raman spectroscopy confirmed that all aerogels exhibited a single anatase phase of TiO<sub>2</sub>, while electron microscopy (SEM/TEM) and XPS analysis demonstrated the presence of components. Increasing the annealing temperature resulted in particle size and pore structure changes, reducing the aerogel’s overall surface area and porosity, as observed by SEM and nitrogen (N<sub>2</sub>) sorption analysis. Additionally, according to the Williamson-Hall (W-H) analysis based on the X-ray peak profile, the lattice microstrain value decreased while the crystallite size increased with rising annealing temperature. Optical investigation showed a strong UV light absorption characteristic of TiO<sub>2</sub> and a visible light absorption band attributed to the plasmonic effect of silver nanoparticles. Moreover, a gradual photoluminescence (PL) quenching trend was observed with decreasing annealing temperature, indicating a reduction in the recombination rate of photo-induced electrons and holes in <figure><img></figure> , alongside the formation of oxygen vacancies and structural defects, consistent with electron paramagnetic resonance (EPR) measurements. The Ag-decorated TiO<sub>2</sub> aerogels demonstrated enhanced visible-light photocatalytic activity for methylene blue (MB) degradation, with the <figure><img></figure> aerogel annealed at 500 °C exhibiting the highest photocatalytic performance. This improvement can be attributed to the synergistic effects of chemical composition, plasmonic enhancement, morphological properties, and light absorption characteristics.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"337 ","pages":"Article 130557"},"PeriodicalIF":4.3,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}