Pub Date : 2026-01-23DOI: 10.1016/j.matchemphys.2026.132112
Mohammed RASHEED, Ameen Khaleefah
Mullite (3Al2O3·2SiO2) nanoparticles were synthesized via the sol–gel method and calcined at 900–1100 °C to investigate temperature-dependent structural, dielectric, and antibacterial properties. Structural characterization by X-ray diffraction (XRD) confirmed the presence of rhombohedral Al2O3, amorphous SiO2, and orthorhombic mullite phases. The corresponding crystallite sizes, calculated using the Scherrer equation, were approximately 5–7 nm, while the particle sizes observed by AFM and FE-SEM were about 135 nm, 83 nm, and 46 nm for Al2O3, SiO2, and mullite, respectively. FTIR and UV–Vis analyses verified strong Al–O–Si bonding and a band gap of 3.8–4.0 eV, indicating improved optical transparency. FE-SEM, AFM, and TEM revealed uniform nanostructures with grain growth from 12 nm to 20 nm and reduced porosity upon calcination. Dielectric studies showed stable polarization with low loss ( ≈ 0.01–0.05) and frequency-dependent conductivity following Jonscher's law. Antibacterial tests (ADM and SPM) demonstrated significant inhibition of E. coli and S. aureus, attributed to reactive oxygen species generation and enhanced surface reactivity. The combined thermal stability, dielectric reliability, and bioactivity position these sol–gel-derived mullite nanoparticles as promising materials for antibacterial ceramic and dielectric applications.
{"title":"Sol–gel-derived mullite nanoparticles: Structural, antibacterial, and frequency-dependent impedance analysis","authors":"Mohammed RASHEED, Ameen Khaleefah","doi":"10.1016/j.matchemphys.2026.132112","DOIUrl":"10.1016/j.matchemphys.2026.132112","url":null,"abstract":"<div><div>Mullite (3Al<sub>2</sub>O<sub>3</sub>·2SiO<sub>2</sub>) nanoparticles were synthesized via the sol–gel method and calcined at 900–1100 °C to investigate temperature-dependent structural, dielectric, and antibacterial properties. Structural characterization by X-ray diffraction (XRD) confirmed the presence of rhombohedral Al<sub>2</sub>O<sub>3</sub>, amorphous SiO<sub>2</sub>, and orthorhombic mullite phases. The corresponding crystallite sizes, calculated using the Scherrer equation, were approximately 5–7 nm, while the particle sizes observed by AFM and FE-SEM were about 135 nm, 83 nm, and 46 nm for Al<sub>2</sub>O<sub>3</sub>, SiO<sub>2</sub>, and mullite, respectively. FTIR and UV–Vis analyses verified strong Al–O–Si bonding and a band gap of 3.8–4.0 eV, indicating improved optical transparency. FE-SEM, AFM, and TEM revealed uniform nanostructures with grain growth from 12 nm to 20 nm and reduced porosity upon calcination. Dielectric studies showed stable polarization with low loss (<span><math><mrow><mi>tan</mi><mspace></mspace><mi>δ</mi></mrow></math></span> ≈ 0.01–0.05) and frequency-dependent conductivity following Jonscher's law. Antibacterial tests (ADM and SPM) demonstrated significant inhibition of <em>E. coli</em> and <em>S. aureus</em>, attributed to reactive oxygen species generation and enhanced surface reactivity. The combined thermal stability, dielectric reliability, and bioactivity position these sol–gel-derived mullite nanoparticles as promising materials for antibacterial ceramic and dielectric applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132112"},"PeriodicalIF":4.7,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080250","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 : 2026-01-23DOI: 10.1016/j.matchemphys.2026.132110
Xiangfeng Jing , Hongyan Bai , Yun Zhao , Dan Luo , Xuqiang Zhang
Vertically oriented Schottky-junction MoO2@MoO3 nanotube arrays (NTAs) are prepared via a simple in-situ calcination strategy using anodized (NH4)2MoO4@MoO3 NTAs as raw material under vacuum condition. The structural and photoelectric characteristics of self-assembly photocatalyst reveals that the MoO2@MoO3 NTAs possess stable geometric structure, narrow optical bandgap, and fast electron-hole pairs transport compared to pristine MoO3 nanosheets that are prepared by calcining (NH4)2MoO4@MoO3 at atmospheric environment. These enhanced properties originate from the semi-metallic MoO2 co-catalyst within the Schottky junction, coupled with a well-matched interface structure between MoO2 and MoO3 that generates a strong built-in electric field. Consequently, MoO2@MoO3 NTAs exhibit evaluable photocatalytic activities for degrading organic dyes. Using methyl orange (MO) as target pollutant, the composite catalyst achieves 60.5 % of degradation efficiency within 120 min under simulated sunlight irradiation, which is approximately 3.9 times higher than MoO3 nanosheets. Moreover, the vertically oriented NTAs structure on the Mo substrate facilitates separation and recovery of samples, while showing acceptable cycling stability. The superior photocatalytic performances are attributed to synergistic effects arising from intrinsic attributes, including matched energy bands and interfaces, high electrical conductivity, abundant reaction sites, broad spectral absorption, and abundant oxidative active species. These findings provide a novel approach for developing high-efficiency MoO3-based photocatalysts.
{"title":"Schottky-junction MoO2@MoO3 nanotube arrays: in-situ preparation and photocatalytic activity","authors":"Xiangfeng Jing , Hongyan Bai , Yun Zhao , Dan Luo , Xuqiang Zhang","doi":"10.1016/j.matchemphys.2026.132110","DOIUrl":"10.1016/j.matchemphys.2026.132110","url":null,"abstract":"<div><div>Vertically oriented Schottky-junction MoO<sub>2</sub>@MoO<sub>3</sub> nanotube arrays (NTAs) are prepared via a simple in-situ calcination strategy using anodized (NH<sub>4</sub>)<sub>2</sub>MoO<sub>4</sub>@MoO<sub>3</sub> NTAs as raw material under vacuum condition. The structural and photoelectric characteristics of self-assembly photocatalyst reveals that the MoO<sub>2</sub>@MoO<sub>3</sub> NTAs possess stable geometric structure, narrow optical bandgap, and fast electron-hole pairs transport compared to pristine MoO<sub>3</sub> nanosheets that are prepared by calcining (NH<sub>4</sub>)<sub>2</sub>MoO<sub>4</sub>@MoO<sub>3</sub> at atmospheric environment. These enhanced properties originate from the semi-metallic MoO<sub>2</sub> co-catalyst within the Schottky junction, coupled with a well-matched interface structure between MoO<sub>2</sub> and MoO<sub>3</sub> that generates a strong built-in electric field. Consequently, MoO<sub>2</sub>@MoO<sub>3</sub> NTAs exhibit evaluable photocatalytic activities for degrading organic dyes. Using methyl orange (MO) as target pollutant, the composite catalyst achieves 60.5 % of degradation efficiency within 120 min under simulated sunlight irradiation, which is approximately 3.9 times higher than MoO<sub>3</sub> nanosheets. Moreover, the vertically oriented NTAs structure on the Mo substrate facilitates separation and recovery of samples, while showing acceptable cycling stability. The superior photocatalytic performances are attributed to synergistic effects arising from intrinsic attributes, including matched energy bands and interfaces, high electrical conductivity, abundant reaction sites, broad spectral absorption, and abundant oxidative active species. These findings provide a novel approach for developing high-efficiency MoO<sub>3</sub>-based photocatalysts.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132110"},"PeriodicalIF":4.7,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080377","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}
Heterostructured photoredox titanium dioxide/copper oxide (TiO2/CuO) nanoslates were synthesized using the sol-gel precipitation method and tested for the photocatalytic performance for the removal of mixed dyes, methylene blue (MB), methyl orange (MO), crystal violet (CV), and Congo red (CR), under natural sunlight irradiation (∼107.5 mW/cm2). CuO guided the strain production in TiO2 to regulate defects that enhanced the photocatalytic rate reactions. The Ti─Cu, Ti─O, Ti─O─Cu, and Cu─O bonds were observed to correspond to the binding energies of heterojunctions, producing ROSs and charge carriers (•O2−, h+, •OH) due to a lower bandgap (Eg = 2.68 eV). The Eg and the crystallite decreased from 2.85 to 2.68 eV, and 28 to 24 nm as the concentration of CuO increased. The typical TiO2/CuO ratio (1:3) yielded the most reactive catalyst, increasing the removal rate of a mixed organic dye from 83% to 99% in an alkaline solution (pH = 9). This work provides fresh insights into the development of high-performance, high-stability heterostructure photocatalysts.
{"title":"Heterostructured photoredox TiO2/CuO degraded mixed textile pollutants under natural sunlight irradiation","authors":"Dipti Rani , Vikas Kumar , Mahender Pal , L.P. Purohit , Sanjeev Kumar Sharma , Himanshu Gupta","doi":"10.1016/j.matchemphys.2026.132119","DOIUrl":"10.1016/j.matchemphys.2026.132119","url":null,"abstract":"<div><div>Heterostructured photoredox titanium dioxide/copper oxide (TiO<sub>2</sub>/CuO) nanoslates were synthesized using the sol-gel precipitation method and tested for the photocatalytic performance for the removal of mixed dyes, methylene blue (MB), methyl orange (MO), crystal violet (CV), and Congo red (CR), under natural sunlight irradiation (∼107.5 mW/cm<sup>2</sup>). CuO guided the strain production in TiO<sub>2</sub> to regulate defects that enhanced the photocatalytic rate reactions. The Ti─Cu, Ti─O, Ti─O─Cu, and Cu─O bonds were observed to correspond to the binding energies of heterojunctions, producing ROSs and charge carriers (•O<sub>2</sub><sup>−</sup>, h<sup>+</sup>, •OH) due to a lower bandgap (<em>E</em><sub>g</sub> = 2.68 eV). The <em>E</em><sub>g</sub> and the crystallite decreased from 2.85 to 2.68 eV, and 28 to 24 nm as the concentration of CuO increased. The typical TiO<sub>2</sub>/CuO ratio (1:3) yielded the most reactive catalyst, increasing the removal rate of a mixed organic dye from 83% to 99% in an alkaline solution (pH = 9). This work provides fresh insights into the development of high-performance, high-stability heterostructure photocatalysts.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132119"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025556","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 : 2026-01-21DOI: 10.1016/j.matchemphys.2026.132089
Musa Yılmaz , Mürsel Ekrem
This study aimed to develop hybrid composite materials made of A7075 aluminum/boron carbide (B4C) with a hard outer region and a soft inner core, inspired by natural structures such as teeth and bones, to provide high toughness. Production was carried out using the powder metallurgy method, with ball milling times (1, 2, 3 h) and layer configurations (3, 5, 7 layers) in accordance with the functional graded material (FGM) principle. The experiments were designed using the Taguchi method for systematic optimization, and three different compression pressures (300, 400, 500 MPa), sintering times (1, 2, 3 h), and sintering temperatures (550, 570, 590 °C) were investigated. The powders were characterized prior to production using XRD, SEM, and particle size analysis. The performance of the produced composites was evaluated using compressive strength tests in accordance with ASTM E9, as well as hardness and density tests and SEM microstructure analysis.
Data analyzed using the Taguchi method revealed the critical effects of processing parameters on mechanical properties. The highest compressive strength (339.1 MPa) and toughness values were obtained with a 3-h ball milling time and a 3-layer FGM structure, while sintering parameters of 590 °C and 3 h, while 550 °C and 2 h provided the highest hardness (170 HB). In powder characterization, it was observed that as the grinding time increased, the particle size decreased and the B4C phase was homogeneously distributed, despite the initial agglomeration tendency.
The results and parameter optimizations obtained through Taguchi analysis provide a comprehensive reference for further research. The analyses clearly show that the production recipe changes depending on the targeted property (pressure resistance, hardness, or density). The developed FGM composites can be used in applications such as arm and knee protectors thanks to their high strength and toughness properties, as well as the high hardness advantage they provide. Additionally, the combination of wear resistance and toughness resulting from high hardness offers great potential for future studies such as brake discs.
{"title":"Production and characterization of functional grading aluminum matrix materials by powder metallurgy","authors":"Musa Yılmaz , Mürsel Ekrem","doi":"10.1016/j.matchemphys.2026.132089","DOIUrl":"10.1016/j.matchemphys.2026.132089","url":null,"abstract":"<div><div>This study aimed to develop hybrid composite materials made of A7075 aluminum/boron carbide (B<sub>4</sub>C) with a hard outer region and a soft inner core, inspired by natural structures such as teeth and bones, to provide high toughness. Production was carried out using the powder metallurgy method, with ball milling times (1, 2, 3 h) and layer configurations (3, 5, 7 layers) in accordance with the functional graded material (FGM) principle. The experiments were designed using the Taguchi method for systematic optimization, and three different compression pressures (300, 400, 500 MPa), sintering times (1, 2, 3 h), and sintering temperatures (550, 570, 590 °C) were investigated. The powders were characterized prior to production using XRD, SEM, and particle size analysis. The performance of the produced composites was evaluated using compressive strength tests in accordance with ASTM E9, as well as hardness and density tests and SEM microstructure analysis.</div><div>Data analyzed using the Taguchi method revealed the critical effects of processing parameters on mechanical properties. The highest compressive strength (339.1 MPa) and toughness values were obtained with a 3-h ball milling time and a 3-layer FGM structure, while sintering parameters of 590 °C and 3 h, while 550 °C and 2 h provided the highest hardness (170 HB). In powder characterization, it was observed that as the grinding time increased, the particle size decreased and the B<sub>4</sub>C phase was homogeneously distributed, despite the initial agglomeration tendency.</div><div>The results and parameter optimizations obtained through Taguchi analysis provide a comprehensive reference for further research. The analyses clearly show that the production recipe changes depending on the targeted property (pressure resistance, hardness, or density). The developed FGM composites can be used in applications such as arm and knee protectors thanks to their high strength and toughness properties, as well as the high hardness advantage they provide. Additionally, the combination of wear resistance and toughness resulting from high hardness offers great potential for future studies such as brake discs.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132089"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080372","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 : 2026-01-21DOI: 10.1016/j.matchemphys.2026.132075
Irshad Hussain , Kamran Tahir , Muhammad Saud Khan , Afaq Ullah Khan , Sameerah I. Al-Saeedi , Eman A. Alabbad , Khulood Fahad Alabbosh , Magdi E.A. Zaki , Zainab M. Almarhoon , Hatem A. Al-Aoh
This study reports the fabrication of CuO/PdCo2S3–Mo3S6 nanocomposite synthesized via hydrothermal method for integrated photocatalytic and antibacterial applications. The presence of nanoscale crystallinity within the monoclinic CuO and spinel PdCo2S3 was validated through XRD. SEM and TEM findings supported the theory of great interfacial contact, showing the morphological change from nanosheets to a dense granular form with CuO evenly distributed. Interpretations of BET patterns indicated a Type IV isotherm, with the surface area of the composite measured at roughly 115.6 m2/g and with mesopores at 4–6 nm. Under the influence of visible light, the composite demonstrated over 96.8 % of Bromothymol Blue (BTB) degradation with retention of at least 80 % degradation efficiency throughout a period of 6 reaction cycles. The composite also demonstrated antibacterial properties giving inhibition zones of 20 ± 0.12 mm against Staphylococcus aureus (S. aureus) and 18 ± 0.16 mm against Escherichia coli (E. coli) with minimum inhibitory concentration (MIC) of 25 μg/mL and 40 μg/mL, respectively, close to streptomycin (20 μg/mL). Although the material exhibited minimal hemolysis (<10.1 % at 150 μg/mL), suggesting good compatibility with red blood cells, additional investigation is required to fully determine its genotoxic profile and overall biological safety. These results demonstrate that CuO/PdCo2S3–Mo3S6 is a promising, stable, and safe multifunctional nanomaterial for visible-light-driven water purification and antimicrobial applications.
{"title":"Exploring the biomedical and photocatalytic potential of copper oxide modified PdCo2S3–Mo3S6 nanostructures","authors":"Irshad Hussain , Kamran Tahir , Muhammad Saud Khan , Afaq Ullah Khan , Sameerah I. Al-Saeedi , Eman A. Alabbad , Khulood Fahad Alabbosh , Magdi E.A. Zaki , Zainab M. Almarhoon , Hatem A. Al-Aoh","doi":"10.1016/j.matchemphys.2026.132075","DOIUrl":"10.1016/j.matchemphys.2026.132075","url":null,"abstract":"<div><div>This study reports the fabrication of CuO/PdCo<sub>2</sub>S<sub>3</sub>–Mo<sub>3</sub>S<sub>6</sub> nanocomposite synthesized via hydrothermal method for integrated photocatalytic and antibacterial applications. The presence of nanoscale crystallinity within the monoclinic CuO and spinel PdCo<sub>2</sub>S<sub>3</sub> was validated through XRD. SEM and TEM findings supported the theory of great interfacial contact, showing the morphological change from nanosheets to a dense granular form with CuO evenly distributed. Interpretations of BET patterns indicated a Type IV isotherm, with the surface area of the composite measured at roughly 115.6 m<sup>2</sup>/g and with mesopores at 4–6 nm. Under the influence of visible light, the composite demonstrated over 96.8 % of Bromothymol Blue (BTB) degradation with retention of at least 80 % degradation efficiency throughout a period of 6 reaction cycles. The composite also demonstrated antibacterial properties giving inhibition zones of 20 ± 0.12 mm against <em>Staphylococcus aureus</em> (<em>S. aureus</em>) and 18 ± 0.16 mm against <em>Escherichia coli</em> (<em>E. coli</em>) with minimum inhibitory concentration (MIC) of 25 μg/mL and 40 μg/mL, respectively, close to streptomycin (20 μg/mL). Although the material exhibited minimal hemolysis (<10.1 % at 150 μg/mL), suggesting good compatibility with red blood cells, additional investigation is required to fully determine its genotoxic profile and overall biological safety. These results demonstrate that CuO/PdCo<sub>2</sub>S<sub>3</sub>–Mo<sub>3</sub>S<sub>6</sub> is a promising, stable, and safe multifunctional nanomaterial for visible-light-driven water purification and antimicrobial applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132075"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080229","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}
Numerous undeveloped and underutilized niobium deposits are located inside Bayan Obo's tailings. Niobium is challenging to extract from low-grade niobium slag using traditional methods. In this work, molten oxide electrolysis was used to prepare metallic niobium and niobium-iron alloys. Our findings reveal that the reduction of Nb(V) on a tungsten electrode operates through a two-step, five-electron transfer process: Nb(V) → Nb(II) and Nb(II) → Nb(0). Meanwhile, on an solid iron electrode, the reduction follows a three-step process: Nb(V) → Nb(IV), Nb(IV) → Nb(II) and Nb(II) → Nb(0). In the co-deposition approach, Fe(III) is first deposited on the tungsten electrode to form a Fe film through the reaction Fe(III) + 3e → Fe(0). Subsequently, Nb(V) is reduced on this iron film, yielding NbFe intermetallic compounds. Additionally, we examined the transport and diffusion rates of Nb ions as they transition to Nb(0) on inert tungsten, solid iron, and during co-deposition. The results highlight that the co-deposition method yields FeNb and Fe2Nb alloys that are easier to separate and demonstrate superior diffusivity, with DNb(II) measured at 1.80 × 10−5 cm2 s−1 during the reduction process. This research highlights a promising pathway toward enhancing niobium production and utilization in high-demand industries.
{"title":"Extraction of niobium from low-grade niobium tailings by molten oxide electrolysis","authors":"Xu Zhang , Zengwu Zhao , Liqi Zhang , Bowen Huang , Yusheng Yang","doi":"10.1016/j.matchemphys.2026.132092","DOIUrl":"10.1016/j.matchemphys.2026.132092","url":null,"abstract":"<div><div>Numerous undeveloped and underutilized niobium deposits are located inside Bayan Obo's tailings. Niobium is challenging to extract from low-grade niobium slag using traditional methods. In this work, molten oxide electrolysis was used to prepare metallic niobium and niobium-iron alloys. Our findings reveal that the reduction of Nb(V) on a tungsten electrode operates through a two-step, five-electron transfer process: Nb(V) → Nb(II) and Nb(II) → Nb(0). Meanwhile, on an solid iron electrode, the reduction follows a three-step process: Nb(V) → Nb(IV), Nb(IV) → Nb(II) and Nb(II) → Nb(0). In the co-deposition approach, Fe(III) is first deposited on the tungsten electrode to form a Fe film through the reaction Fe(III) + 3e → Fe(0). Subsequently, Nb(V) is reduced on this iron film, yielding NbFe intermetallic compounds. Additionally, we examined the transport and diffusion rates of Nb ions as they transition to Nb(0) on inert tungsten, solid iron, and during co-deposition. The results highlight that the co-deposition method yields FeNb and Fe<sub>2</sub>Nb alloys that are easier to separate and demonstrate superior diffusivity, with <em>D</em><sub><em>Nb(II)</em></sub> measured at 1.80 × 10<sup>−5</sup> cm<sup>2</sup> s<sup>−1</sup> during the reduction process. This research highlights a promising pathway toward enhancing niobium production and utilization in high-demand industries.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132092"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080370","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 : 2026-01-21DOI: 10.1016/j.matchemphys.2026.132108
Muti ul Mannan Shah , Abdul Shakoor , Waseem Abbas , Muhammad Hashim , Muhammad Bilal , Muhammad Ehsan Mazhar , Shahid Atiq , Sami Allah , Imran Shakir , Muhammad Yahya Haroon , Latif Ullah Khan , Muhammad Junaid , Farooq Ahmad
This work introduces hydrothermally synthesized pure ZnS and ZnS/MXene-based composite as electrode materials for supercapacitors to enhance their electrochemical properties. X-ray diffraction (XRD) analysis indicated that both ZnS and ZnS/MXene-based material possess high phase purity and crystallinity. Scanning Electron Microscopy (SEM) confirmed that the MXene substrate was porous with evenly dispersed spherical ZnS micro spheres. Transmission electron microscopy (TEM), selected area electron microscopy (SEAD), and HRTEM unveiled the in-depth morphological and crystallographic attributes of the composite sample. Additionally, X-ray photoelectron spectroscopy (XPS) verified the presence and variety of oxidation states in each component of both samples. Electrochemical tests showed that ZnS/MXene-based composite electrodes exhibited enhanced electrochemical efficiency in comparison to pure ZnS electrodes, attaining a maximum specific capacitance value of 2495.07 F/g at 10 mV/s. Such a composite also exhibited improved power density (1500 W/kg) and energy density (129.11 Wh/kg) at 3 A/g. The stability test of ZnS/MXene resulted in a retained capacitance of approximately 95.20 % after 2000 GCD cycles with a 3 A/g current density. The composite material demonstrated excellent ionic conductivity (0.0698 S/cm), very low charge transfer resistance (0.094 Ω), and a transference number of 0.82 for anions. Based on these results, ZnS/MXene-based composite electrodes are proposed as advanced electrode materials for high-performance supercapacitors.
本文介绍了水热合成纯ZnS和ZnS/ mxene基复合材料作为超级电容器电极材料，以提高其电化学性能。x射线衍射（XRD）分析表明，ZnS和ZnS/ mxene基材料均具有较高的相纯度和结晶度。扫描电子显微镜（SEM）证实MXene衬底具有均匀分散的球形ZnS微球。透射电子显微镜（TEM）、选择性面积电子显微镜（SEAD）和HRTEM揭示了复合材料样品的深层形态和晶体属性。此外，x射线光电子能谱（XPS）验证了两种样品中各组分氧化态的存在和变化。电化学测试表明，与纯ZnS电极相比，ZnS/ mxene基复合电极的电化学效率有所提高，在10 mV/s下的最大比电容值为2495.07 F/g。这种复合材料在3 a /g时也表现出更高的功率密度（1500 W/kg）和能量密度（129.11 Wh/kg）。ZnS/MXene稳定性测试结果表明，在3 a /g电流密度下，经过2000个GCD循环后，ZnS/MXene的电容保留率约为95.20%。复合材料具有优异的离子电导率（0.0698 S/cm），极低的电荷转移电阻（0.094 Ω），阴离子转移数为0.82。基于这些结果，提出了ZnS/ mxene基复合电极作为高性能超级电容器的先进电极材料。
{"title":"Hierarchical ZnS/MXene microspheres as efficient electrodes for energy storage devices","authors":"Muti ul Mannan Shah , Abdul Shakoor , Waseem Abbas , Muhammad Hashim , Muhammad Bilal , Muhammad Ehsan Mazhar , Shahid Atiq , Sami Allah , Imran Shakir , Muhammad Yahya Haroon , Latif Ullah Khan , Muhammad Junaid , Farooq Ahmad","doi":"10.1016/j.matchemphys.2026.132108","DOIUrl":"10.1016/j.matchemphys.2026.132108","url":null,"abstract":"<div><div>This work introduces hydrothermally synthesized pure ZnS and ZnS/MXene-based composite as electrode materials for supercapacitors to enhance their electrochemical properties. X-ray diffraction (XRD) analysis indicated that both ZnS and ZnS/MXene-based material possess high phase purity and crystallinity. Scanning Electron Microscopy (SEM) confirmed that the MXene substrate was porous with evenly dispersed spherical ZnS micro spheres. Transmission electron microscopy (TEM), selected area electron microscopy (SEAD), and HRTEM unveiled the in-depth morphological and crystallographic attributes of the composite sample. Additionally, X-ray photoelectron spectroscopy (XPS) verified the presence and variety of oxidation states in each component of both samples. Electrochemical tests showed that ZnS/MXene-based composite electrodes exhibited enhanced electrochemical efficiency in comparison to pure ZnS electrodes, attaining a maximum specific capacitance value of 2495.07 F/g at 10 mV/s. Such a composite also exhibited improved power density (1500 W/kg) and energy density (129.11 Wh/kg) at 3 A/g. The stability test of ZnS/MXene resulted in a retained capacitance of approximately 95.20 % after 2000 GCD cycles with a 3 A/g current density. The composite material demonstrated excellent ionic conductivity (0.0698 S/cm), very low charge transfer resistance (0.094 Ω), and a transference number of 0.82 for anions. Based on these results, ZnS/MXene-based composite electrodes are proposed as advanced electrode materials for high-performance supercapacitors.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132108"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080371","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 : 2026-01-21DOI: 10.1016/j.matchemphys.2026.132091
Amna Seher , Muhammad Imran , Iram Shahzadi , Sawaira Moeen , Anwar Ul-Hamid , Norah A. Albassami , Sarmad Frogh Arshad , Muhammad Ikram
In this work, a co-precipitation approach was used to synthesize CuFe2O4 NSs (copper ferrite nanostructures) doped with different concentrations of samarium (Sm) and a fixed amount of polyacrylic acid (PAA). This study aimed to examine the effect of doping agents (Sm and PAA) on the degradation potency and antibacterial ability of CuFe2O4 NSs. Sm and capping agent (PAA) were added to CuFe2O4 as they improved the crystalinity, enhanced the stability and restricts the recomibination of exicitons by decreasing the bandgap energy of NSs. PAA functional groups (-COOH) offers additional active sites, while Sm provides additional energy levels to improve the charge transfer activities for the catalytic reduction of rhodamine B dye (RhB) and antibacterial behaviour against Staphylococcus aureus (S. aureus). Moreover, prepared catalysts were characterized optically, structurally, and morphologically. 4 wt % Sm/PAA-doped CuFe2O4 demonstrated the maximum reduction (94.8 %) of RhB in a neutral environment and inhibitory zone (11.35 mm) against S. aureus. The microbicidal efficacy of Sm/PAA-doped CuFe2O4 against S. aureus DNA gyrase was elucidated using molecular docking research, indicating these NCs as DNA gyraseS. aureus inhibitors.
{"title":"Harnessing Sm/PAA-CuFe2O4 nanostructures for synergistic catalytic and bioactivity: A computationally-guided approach","authors":"Amna Seher , Muhammad Imran , Iram Shahzadi , Sawaira Moeen , Anwar Ul-Hamid , Norah A. Albassami , Sarmad Frogh Arshad , Muhammad Ikram","doi":"10.1016/j.matchemphys.2026.132091","DOIUrl":"10.1016/j.matchemphys.2026.132091","url":null,"abstract":"<div><div>In this work, a co-precipitation approach was used to synthesize CuFe<sub>2</sub>O<sub>4</sub> NSs (copper ferrite nanostructures) doped with different concentrations of samarium (Sm) and a fixed amount of polyacrylic acid (PAA). This study aimed to examine the effect of doping agents (Sm and PAA) on the degradation potency and antibacterial ability of CuFe<sub>2</sub>O<sub>4</sub> NSs. Sm and capping agent (PAA) were added to CuFe<sub>2</sub>O<sub>4</sub> as they improved the crystalinity, enhanced the stability and restricts the recomibination of exicitons by decreasing the bandgap energy of NSs. PAA functional groups (-COOH) offers additional active sites, while Sm provides additional energy levels to improve the charge transfer activities for the catalytic reduction of rhodamine B dye (RhB) and antibacterial behaviour against <em>Staphylococcus aureus</em> (<em>S. aureus</em>). Moreover, prepared catalysts were characterized optically, structurally, and morphologically. 4 wt % Sm/PAA-doped CuFe<sub>2</sub>O<sub>4</sub> demonstrated the maximum reduction (94.8 %) of RhB in a neutral environment and inhibitory zone (11.35 mm) against <em>S. aureus</em>. The microbicidal efficacy of Sm/PAA-doped CuFe<sub>2</sub>O<sub>4</sub> against <em>S. aureus</em> DNA gyrase was elucidated using molecular docking research, indicating these NCs as DNA gyrase<sub><em>S. aureus</em></sub> inhibitors.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132091"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080374","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 : 2026-01-21DOI: 10.1016/j.matchemphys.2026.132107
Samir F. Samadov , N. Ismayılova , E. Popov , L.A. Tuyen , N.V.M. Trung , O.A. Samedov , A.A. Sidorin , O.S. Orlov , S. Jabarov , P.T. Hue , N.T.N. Hue , N.V. Tiep , N. Quang Hung , Matlab N. Mirzayev
This study investigates the reaction of ZrB2 ceramics to high-dose gamma irradiation and subsequent thermal treatment in terms of defect formation and recovery mechanisms, which are important for harsh reactor environments. ZrB2 powders were irradiated with 60Co gamma rays at a total absorbed dose in the range of 1500–3000 kGy, and then annealed at 1173 K. Surface and near-surface analyses (SEM, TEM/HRTEM, FTIR) indicate the formation of a thin oxygen-rich layer and moderate particle coarsening after irradiation; after annealing, partial removal of hydroxyl/oxide-related features and relaxation of microstrain are observed. Positron-based DB/EMD measurements show that irradiation leads to an increase in vacancy-type defects (VB, VZr, and their clusters), while after thermal treatment these defects decrease toward the reference state, which is consistent with thermally assisted defect recombination. First-principles (TCDFT/DFT) calculations confirm these trends: in defective structures, shifts in the Fermi level and weakening of Zr4d–B2p hybridization are observed, while changes in the elastic constants are only moderate. Overall, the results show that ZrB2 exhibits noticeable defect resilience within the investigated gamma dose range, and post-irradiation annealing can partially reduce the induced damage. These findings are informative for the initial selection of materials, but they cannot be considered as a comparative ranking with existing first-wall candidates; application-oriented final conclusions require direct comparative studies under the same conditions.
{"title":"Gamma-irradiation-induced defects and thermally driven recovery in ZrB2","authors":"Samir F. Samadov , N. Ismayılova , E. Popov , L.A. Tuyen , N.V.M. Trung , O.A. Samedov , A.A. Sidorin , O.S. Orlov , S. Jabarov , P.T. Hue , N.T.N. Hue , N.V. Tiep , N. Quang Hung , Matlab N. Mirzayev","doi":"10.1016/j.matchemphys.2026.132107","DOIUrl":"10.1016/j.matchemphys.2026.132107","url":null,"abstract":"<div><div>This study investigates the reaction of ZrB<sub>2</sub> ceramics to high-dose gamma irradiation and subsequent thermal treatment in terms of defect formation and recovery mechanisms, which are important for harsh reactor environments. ZrB<sub>2</sub> powders were irradiated with <sup>60</sup>Co gamma rays at a total absorbed dose in the range of 1500–3000 kGy, and then annealed at 1173 K. Surface and near-surface analyses (SEM, TEM/HRTEM, FTIR) indicate the formation of a thin oxygen-rich layer and moderate particle coarsening after irradiation; after annealing, partial removal of hydroxyl/oxide-related features and relaxation of microstrain are observed. Positron-based DB/EMD measurements show that irradiation leads to an increase in vacancy-type defects (VB, VZr, and their clusters), while after thermal treatment these defects decrease toward the reference state, which is consistent with thermally assisted defect recombination. First-principles (TCDFT/DFT) calculations confirm these trends: in defective structures, shifts in the Fermi level and weakening of Zr4d–B2p hybridization are observed, while changes in the elastic constants are only moderate. Overall, the results show that ZrB<sub>2</sub> exhibits noticeable defect resilience within the investigated gamma dose range, and post-irradiation annealing can partially reduce the induced damage. These findings are informative for the initial selection of materials, but they cannot be considered as a comparative ranking with existing first-wall candidates; application-oriented final conclusions require direct comparative studies under the same conditions.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132107"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025575","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 inhibition performance and mechanism of dodecyl dimethyl betaine (BS-12) on Q235 steel in an l-malic acid (L-MA) environment were investigated via weight loss tests, electrochemical measurements, surface characterization, and theoretical calculations. Weight loss tests revealed that BS-12 maintains an impressive inhibition efficiency of 89.19 % at its optimal concentration of 1 g/L at 80 °C. Adsorption follows the Langmuir isotherm and is a spontaneous exothermic process with chemisorption dominance. Electrochemical results confirm that BS-12 can be classified as a mixed-type inhibitor, exhibiting a primary suppression of the cathodic process. Surface analysis verified that the inhibitory adsorbed layer shields the metal surface against the corrosive medium. Quantum chemical and molecular dynamics simulations revealed a narrow energy gap, significant electron transfer capability, and stable adsorption. The inhibition proceeds through a synergistic mechanism involving three key aspects: chemical anchoring via coordination between the carboxyl group and metal surface, electrostatic physical adsorption through the quaternary ammonium group, and the formation of a dense hydrophobic barrier by the alkyl chains.
{"title":"Dodecyl dimethyl betaine inhibits corrosion of Q235 carbon steel by L-malic acid","authors":"Yanan Weng, Sensen Xie, Jinlu Zhong, Shuang Li, Dinghua Yu","doi":"10.1016/j.matchemphys.2026.132079","DOIUrl":"10.1016/j.matchemphys.2026.132079","url":null,"abstract":"<div><div>The inhibition performance and mechanism of dodecyl dimethyl betaine (BS-12) on Q235 steel in an <span>l</span>-malic acid (L-MA) environment were investigated via weight loss tests, electrochemical measurements, surface characterization, and theoretical calculations. Weight loss tests revealed that BS-12 maintains an impressive inhibition efficiency of 89.19 % at its optimal concentration of 1 g/L at 80 °C. Adsorption follows the Langmuir isotherm and is a spontaneous exothermic process with chemisorption dominance. Electrochemical results confirm that BS-12 can be classified as a mixed-type inhibitor, exhibiting a primary suppression of the cathodic process. Surface analysis verified that the inhibitory adsorbed layer shields the metal surface against the corrosive medium. Quantum chemical and molecular dynamics simulations revealed a narrow energy gap, significant electron transfer capability, and stable adsorption. The inhibition proceeds through a synergistic mechanism involving three key aspects: chemical anchoring via coordination between the carboxyl group and metal surface, electrostatic physical adsorption through the quaternary ammonium group, and the formation of a dense hydrophobic barrier by the alkyl chains.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132079"},"PeriodicalIF":4.7,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146080248","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}
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