Journal of Sol-Gel Science and Technology最新文献

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Comparison of sol–gel derived carbon xerogels synthesized from different phenolic precursors and solvents: electrical conductivity and dielectric relaxation 由不同酚醛前驱体和溶剂合成的溶胶-凝胶衍生碳干凝胶的比较:电导率和介电弛豫
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-09 DOI: 10.1007/s10971-026-07234-9
Aymen Belguesmi, Amal Souilah, Aya Ghrasallah, Abel García-Bernabé, Arbi Fattoum, Mourad Arous, Elimame Elaloui
{"title":"Comparison of sol–gel derived carbon xerogels synthesized from different phenolic precursors and solvents: electrical conductivity and dielectric relaxation","authors":"Aymen Belguesmi,&nbsp;Amal Souilah,&nbsp;Aya Ghrasallah,&nbsp;Abel García-Bernabé,&nbsp;Arbi Fattoum,&nbsp;Mourad Arous,&nbsp;Elimame Elaloui","doi":"10.1007/s10971-026-07234-9","DOIUrl":"10.1007/s10971-026-07234-9","url":null,"abstract":"<div><p>Carbon xerogels based on resorcinol/formaldehyde (R/F) and pyrogallol/formaldehyde (P/F) were synthesized via a sol–gel route using hydrochloric acid as catalyst, with distilled water or acetone as solvent, in order to perform a comparative study of precursor and solvent effects on their structural and electrical properties. Scanning electron microscopy reveals that all samples exhibit a nanospheres-based morphology, while FTIR spectroscopy confirms the presence of characteristic functional groups associated with the phenolic precursors. Nitrogen adsorption–desorption measurements at 77 K indicate a predominantly mesoporous texture with relatively low specific surface areas. The AC electrical conductivity follows Jonscher’s universal power law, characteristic of charge transport in disordered materials. A decrease in conductivity is observed at low temperatures, followed by a thermally activated increase above a transition temperature that depends on the precursor–solvent combination. The dielectric permittivity decreases with increasing temperature at low temperatures and tends to stabilize below the transition temperature. Analysis using the electric modulus formalism reveals two distinct relaxation processes. The high-frequency relaxation mode exhibits a temperature dependence similar to that of the electrical conductivity, with comparable activation energies, suggesting a common charge transport mechanism. The low-frequency relaxation is attributed to electrode–sample interfacial polarization effects. These results highlight the significant role of sol–gel synthesis parameters, particularly precursor nature and solvent choice, in tailoring the dielectric relaxation and electrical conductivity of xerogels.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07234-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148927122","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymeric wound dressings embedded with a binuclear Cu(II) complex: physicochemical characterization and proof of antibacterial activity 内含双核Cu(II)配合物的高分子伤口敷料:理化性质和抗菌活性的证明
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07233-w
Jad Lorena F. Simplício, João G. de Oliveira Neto, Erika A. M. Machado, Jailton R. Viana, Otávio C. da Silva Neto, Antônio A. Ferreira, Richard P. Dutra, Francisco F. Sousa, Eliana B. Souto, Adenilson O. dos Santos
{"title":"Polymeric wound dressings embedded with a binuclear Cu(II) complex: physicochemical characterization and proof of antibacterial activity","authors":"Jad Lorena F. Simplício,&nbsp;João G. de Oliveira Neto,&nbsp;Erika A. M. Machado,&nbsp;Jailton R. Viana,&nbsp;Otávio C. da Silva Neto,&nbsp;Antônio A. Ferreira,&nbsp;Richard P. Dutra,&nbsp;Francisco F. Sousa,&nbsp;Eliana B. Souto,&nbsp;Adenilson O. dos Santos","doi":"10.1007/s10971-026-07233-w","DOIUrl":"10.1007/s10971-026-07233-w","url":null,"abstract":"<div><p>The aim of the study was to produce polymeric films as a semi-solid matrix for the loading of a binuclear Cu(II) complex made by maleate and phenanthroline ligands complexed with Cu<sup>2+</sup> ions ([Cu<sub>2</sub>(Phen)<sub>2</sub>(Mal)<sub>2</sub>]⋅2H<sub>2</sub>O⋅CH<sub>3</sub>OH), and to characterize the structural, optical, thermal, and biological properties of the obtained crystal-loaded films. The films were prepared by adding the synthesized polycrystal at concentrations of 0.5, 1, and 2% (m/V) in a polymeric solution composed of two polysaccharides (0.6% of sodium alginate and 0.6% of sodium carboxymethyl cellulose). To characterize the properties of the obtained crystal-loaded films, we used X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR) and ultraviolet-visible-near infrared (UV-Vis-NIR) spectroscopy, and differential scanning calorimetry (DSC). The diffractograms indicated the presence of crystalline material on the surface of the films, with a color similar to that of the [Cu<sub>2</sub>(Phen)<sub>2</sub>(Mal)<sub>2</sub>]⋅2H<sub>2</sub>O⋅CH<sub>3</sub>OH crystal. According to SEM analysis, the surface morphology was governed by the concentration of [Cu<sub>2</sub>(Phen)<sub>2</sub>(Mal)<sub>2</sub>]⋅2H<sub>2</sub>O⋅CH<sub>3</sub>OH dispersed in the polymeric matrix. FT-IR spectra showed characteristic modes of the complex and polymers, whereas UV-Vis spectra revealed that the films exhibit electronic transitions related to the crystalline material and the polymeric matrix. Heat flow analysis showed that the films kept their structural integrity and very high vaporization enthalpy values attributed to the polymeric chains. In bacterial inhibition tests, crystalline films were observed to inhibit the growth of Gram-positive (<i>S. aureus</i> and <i>E. faecalis</i>) and Gram-negative (<i>E. coli</i> and <i>P. aeruginosa</i>) bacteria, which are frequently associated with wound infections.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07233-w.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CeO₂ nanoparticles incorporated into a polyaniline matrix, prepared using an environmentally friendly method to enhance dielectric performance 加入聚苯胺基质的CeO₂纳米颗粒,采用环保方法制备,以提高介电性能
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07185-1
Asfia Arshad, Farah Kanwal, Norah Alwadai, Munawar Iqbal
{"title":"CeO₂ nanoparticles incorporated into a polyaniline matrix, prepared using an environmentally friendly method to enhance dielectric performance","authors":"Asfia Arshad,&nbsp;Farah Kanwal,&nbsp;Norah Alwadai,&nbsp;Munawar Iqbal","doi":"10.1007/s10971-026-07185-1","DOIUrl":"10.1007/s10971-026-07185-1","url":null,"abstract":"<div><p>Cerium oxide (CeO₂) nanoparticles were fabricated through a green route using <i>Syzygium cumini</i> (SC) leaf extract as a reducing and capping agent. The as-synthesized CeO₂ nanoparticles were incorporated into a polyaniline (PANI) matrix to form CeO₂/PANI nanocomposites via in situ chemical oxidative polymerization. A series of CeO₂/PANI nanocomposites with varying nanoparticle loadings (1–7 wt%) was fabricated to study the influence of CeO₂ contents on the optical, morphological, structural, thermal, and dielectric properties. The CeO₂ nanoparticles had an average crystallite size of 13 nm. SEM images confirmed the formation of compact and uniform composite structures compared to pristine PANI. TGA analysis demonstrated that CeO₂ incorporation enhanced the thermal stability of PANI, although excessive nanoparticle loading (≥ 5 wt%) led to thermally activated degradation and a subsequent reduction in stability. The dielectric constant and the dielectric loss peaked at 3 wt.%, attributed to enhanced interfacial polarization and interfacial relaxation, respectively. The developed CeO₂/PANI nanocomposites can be explored further to evaluate their potential for electronic, energy storage, and sensing applications.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07185-1.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926394","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A theoretical insight into hydrogen storage and thermoelectric properties of double perovskite hydrides Rb2CuYH6 and Cs2CuYH6 双钙钛矿氢化物Rb2CuYH6和Cs2CuYH6储氢和热电性能的理论研究
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07230-z
Huda A. Alburaih, Adeel Younas Abid, Sikandar Azam, A. Laref, Sohail Mumtaz
{"title":"A theoretical insight into hydrogen storage and thermoelectric properties of double perovskite hydrides Rb2CuYH6 and Cs2CuYH6","authors":"Huda A. Alburaih,&nbsp;Adeel Younas Abid,&nbsp;Sikandar Azam,&nbsp;A. Laref,&nbsp;Sohail Mumtaz","doi":"10.1007/s10971-026-07230-z","DOIUrl":"10.1007/s10971-026-07230-z","url":null,"abstract":"<div><p>Identifying promising double perovskite (DPs) hydride materials for efficient hydrogen storage is an important issue for hydrogen-based energy scenarios. Herein, we examine the structural, hydrogen storage, electronic, mechanical, optical, and thermoelectric properties of novel DPs hydrides Rb<sub>2</sub>CuYH<sub>6</sub> and Cs<sub>2</sub>CuYH<sub>6</sub> by using density functional theory. Structural studies revealed a cubic structure having space group 225 (Fm3m) with optimized lattice parameters of 8.70 Å for Rb<sub>2</sub>CuYH<sub>6</sub> and 8.68 Å for Cs<sub>2</sub>CuYH<sub>6</sub>. Both compounds exhibit negative formation energies. For hydrogen storage applications, the estimated gravimetric capacities are 1.64 wt% for Rb<sub>2</sub>CuYH<sub>6</sub> and 2.02 wt% for Cs<sub>2</sub>CuYH<sub>6</sub>. Band structure analysis revealed that both materials are indirect band gap semiconductors, with band gaps of 1.81 eV and 1.78 eV for Rb<sub>2</sub>CuYH<sub>6</sub> and Cs<sub>2</sub>CuYH<sub>6</sub>, respectively. Both hydrides are found to have good mechanical properties, with a ductile nature and ionic bonding character. They also exhibit good thermoelectric properties, having ZT values of around 0.78 at 800 K. Our findings widen the scope for further exploration of other perovskite hydride materials, particularly for improved hydrogen storage capacity and for better design and experimental manufacturing of materials for effective hydrogen utilization.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07230-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tailoring the structural evolution, in vitro bioactivity, and gastrointestinal cell cytocompatibility of sol–gel-derived Bi(III)-doped bioactive glasses: The role of bismuth precursors 溶胶-凝胶衍生Bi(III)掺杂生物活性玻璃的结构演变、体外生物活性和胃肠道细胞相容性:铋前体的作用
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07214-z
Aylin M. Deliormanlı, Harika Atmaca
{"title":"Tailoring the structural evolution, in vitro bioactivity, and gastrointestinal cell cytocompatibility of sol–gel-derived Bi(III)-doped bioactive glasses: The role of bismuth precursors","authors":"Aylin M. Deliormanlı,&nbsp;Harika Atmaca","doi":"10.1007/s10971-026-07214-z","DOIUrl":"10.1007/s10971-026-07214-z","url":null,"abstract":"<div><p>Bismuth(III)-doped 13–93 silicate bioactive glass powders were synthesized via a sol–gel route with Bi₂O₃ contents ranging from 0.1 to 5 wt% using two different precursors, BiCl₃ and Bi(NO₃)₃.5H<sub>2</sub>O. Structural characterization by X-ray diffraction and FTIR confirmed the predominantly amorphous nature of the glasses and the formation of a typical silicate network structure. In vitro bioactivity studies performed in simulated body fluid (SBF) and phosphate-buffered saline (PBS) demonstrated the formation of a calcium phosphate–rich apatite layer on the surface of the glasses, confirming their bioactive behavior. FTIR and SEM analyses indicated apatite-like calcium phosphate formation after immersion, with Bi<sup>3+</sup>-doped compositions showed slightly enhanced apatite formation. Cytocompatibility assessments using multiple gastrointestinal-relevant cell models, including AGS, HIF, HISMC, and HEK-293 cells, showed that high Bi<sup>3+</sup> contents (≥1 wt%) resulted in reduced cell viability, whereas low Bi<sup>3+</sup> concentrations (0.1–0.5 wt%) maintained excellent cytocompatibility. Overall, the results indicate that low-Bi<sup>3+</sup>-doped 13–93 bioactive glasses combine bioactivity and cytocompatibility, suggesting their potential as multifunctional biomaterials for localized soft tissue applications.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07214-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926388","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, characterization, and Taguchi–Grey relational process parameter optimization of alumina ceramic nanoparticles 氧化铝纳米陶瓷的合成、表征及田口灰关系工艺参数优化
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07236-7
Moges Kiros Meresa, Esmael Adem Esleman, Dejene Girma Gadisa, Biranu Kumsa Gonfa
{"title":"Synthesis, characterization, and Taguchi–Grey relational process parameter optimization of alumina ceramic nanoparticles","authors":"Moges Kiros Meresa,&nbsp;Esmael Adem Esleman,&nbsp;Dejene Girma Gadisa,&nbsp;Biranu Kumsa Gonfa","doi":"10.1007/s10971-026-07236-7","DOIUrl":"10.1007/s10971-026-07236-7","url":null,"abstract":"<div><p>Controlling crystallite size and phase purity remains a persistent challenge in the sol–gel synthesis of alumina (Al₂O₃) nanoparticles, as prior studies have largely examined process parameters in isolation rather than through integrated multi-response optimization. This study aimed to identify the combination of precursor material, calcination temperature, and calcination time that minimizes both crystallite size and thermogravimetric mass loss in sol–gel-derived alumina synthesis. Nine samples were prepared using aluminum nitrate, aluminum sulfate, and aluminum chloride precursors via the Taguchi L9(3³) orthogonal array. Calcination was performed at 800–1200 °C for 3–6 h. Samples were characterized by X-ray diffraction (XRD) and thermogravimetric analysis (TGA). Grey Relational Analysis (GRA), along with the Taguchi signal-to-noise ratio, was used to simultaneously optimize both responses. XRD identified different alumina phases (α, θ, δ, and γ) with crystallite sizes ranging from 5.2 to 26.5 nm, while TGA mass loss ranged from 4.90% to 6.53%. ANOVA of the S/N ratios ranked calcination temperature as the dominant factor. The optimal combination of aluminum sulfate, 1200 °C, and 4 h was validated by a confirmation experiment that reproduced predominantly α-Al₂O₃ with a crystallite size of 5.3 nm against a predicted 5.2 nm. This work establishes an integrated Taguchi–GRA framework that jointly optimizes crystallite size and thermal stability for sol–gel alumina synthesis and provides a reproducible, statistically grounded route for producing nanocrystalline α-alumina for catalytic, ceramic-reinforcement, and protective-coating applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07236-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926391","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sol–gel synthesis and structural-magnetic properties of Ba2-xAxFeMoO6 (A = Ag, Sm): effects of partial A-site substitution Ba2-xAxFeMoO6 (A = Ag, Sm)的溶胶-凝胶合成及结构磁性能:部分A位取代的影响
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-09-01 DOI: 10.1007/s10971-026-07240-x
Zahra Ghorbani, Mohammad Hossein Ehsani, Abdulkarim Amirov, Alexander Tishin
{"title":"Sol–gel synthesis and structural-magnetic properties of Ba2-xAxFeMoO6 (A = Ag, Sm): effects of partial A-site substitution","authors":"Zahra Ghorbani,&nbsp;Mohammad Hossein Ehsani,&nbsp;Abdulkarim Amirov,&nbsp;Alexander Tishin","doi":"10.1007/s10971-026-07240-x","DOIUrl":"10.1007/s10971-026-07240-x","url":null,"abstract":"<div><p>Double perovskite oxides are promising candidates for spintronic and magnetic applications because their magnetic properties can be effectively tailored through ionic substitution. In this work, the effects of non-magnetic Ag<sup>+</sup> and magnetic rare-earth Sm<sup>3+</sup> substitution at the Ba site of Ba<sub>2</sub>FeMoO<sub>6</sub> were systematically compared for the first time at the same doping level (x = 0.05). Ba<sub>2−x</sub>A<sub>x</sub>FeMoO<sub>6</sub> (A = Ag, Sm; x = 0.0 and 0.05) compounds were synthesized using the sol–gel method to investigate the influence of these dopants on the structural and magnetic properties of Ba<sub>2</sub>FeMoO<sub>6</sub>. The crystal structure, morphology, chemical states, and magnetic properties were characterized using X-ray diffraction with Rietveld refinement, FE-SEM, FTIR spectroscopy, XPS, and magnetic measurements. Structural analysis confirmed that all samples crystallized in a single-phase cubic structure with the Fm-3m space group. Although Ag<sup>+</sup> and Sm<sup>3+</sup> substitution did not change the crystal symmetry, slight modifications in the lattice parameters, unit-cell volume, and bond lengths were observed. FE-SEM images revealed an increase in porosity after doping, while FTIR spectra indicated changes in the vibrational modes associated with the MoO<sub>6</sub> octahedra. XPS analysis confirmed the coexistence of Fe<sup>2+</sup>/Fe<sup>3+</sup> and Mo<sup>5+</sup>/Mo<sup>6+</sup> mixed valence states, which are essential for the double-exchange interaction. Magnetic measurements showed that both doped samples exhibited lower magnetization than the undoped compound. In contrast, Ag<sup>+</sup> substitution reduced the magnetic transition temperature, whereas Sm<sup>3+</sup> substitution increased it. These variations are attributed to dopant-induced structural distortions and changes in bond lengths, which modify the magnetic exchange interactions. The results provide new insights into the distinct roles of non-magnetic and magnetic dopants in tuning the structural and magnetic behavior of Ba<sub>2</sub>FeMoO<sub>6</sub> double perovskites.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07240-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148926390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pressure-dependent structural, electronic, optical, and mechanical properties of cubic PbTiO₃ perovskite: A DFT–GGA study 立方PbTiO₃钙钛矿的压力依赖性结构、电子、光学和力学性质:DFT-GGA研究
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-08-26 DOI: 10.1007/s10971-026-07231-y
Mansy Samy
{"title":"Pressure-dependent structural, electronic, optical, and mechanical properties of cubic PbTiO₃ perovskite: A DFT–GGA study","authors":"Mansy Samy","doi":"10.1007/s10971-026-07231-y","DOIUrl":"10.1007/s10971-026-07231-y","url":null,"abstract":"<div><p>In this study, the structural, electronic, optical, and mechanical properties of cubic PbTiO₃ perovskite were systematically investigated using first-principles calculations based on density functional theory (DFT) within the generalized gradient approximation using the PBE functional. The calculations were performed with CASTEP. The optimized lattice parameter of the cubic phase is 3.96 Å, in good agreement with reported experimental and theoretical values. The electronic band structure indicates semiconducting behavior with an indirect GGA-PBE band gap of 1.70 eV. The upper valence band is dominated mainly by O-2p states with minor Pb-6p contributions, whereas the lower conduction band is dominated by Ti-3d states, confirming strong Ti-O hybridization. The optical response, derived from the complex dielectric function, shows strong activity in the ultraviolet region, with prominent absorption features near 3.89 and 6.78 eV. The calculated static dielectric constant and refractive index are 8.74 and 2.99, respectively. The optical conductivity exhibits a main peak at approximately 11.2 eV at ambient pressure. Under hydrostatic pressure from 0 to 50 GPa, the lattice parameter decreases monotonically, while the bulk modulus increases from 115 to about 298 GPa. In addition, the energy-loss function shows a pressure-induced blue shift of the plasmon peak from 11.02 to 13.01 eV. The novelty of this work is the unified analysis of the coupled pressure-dependent structural, electronic, optical, and mechanical properties of cubic PbTiO₃ up to 50 GPa within a single GGA-PBE framework. These results provide theoretical insight into the pressure-tunable behavior of PbTiO₃ and indicate its potential relevance for ultraviolet optoelectronic and high-pressure functional applications.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07231-y.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148837679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Waste-derived SnO₂–polystyrene nanocomposites: structural, optical, and photocatalytic performance for dye degradation applications 废物衍生的SnO₂-聚苯乙烯纳米复合材料:染料降解应用的结构、光学和光催化性能
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-08-26 DOI: 10.1007/s10971-026-07229-6
Y. C. Goswami, Jyoti Bala
{"title":"Waste-derived SnO₂–polystyrene nanocomposites: structural, optical, and photocatalytic performance for dye degradation applications","authors":"Y. C. Goswami,&nbsp;Jyoti Bala","doi":"10.1007/s10971-026-07229-6","DOIUrl":"10.1007/s10971-026-07229-6","url":null,"abstract":"<div><p>The growing accumulation of non-biodegradable plastic waste and the discharge of persistent industrial dyes represent two critical environmental challenges worldwide. Developing sustainable materials that simultaneously address plastic recycling and wastewater remediation remains an important scientific goal. In this context, converting waste expanded polystyrene (EPS) into functional photocatalytic materials offers a promising circular-economy strategy. In this work, tin oxide (SnO₂) embedded polystyrene (PS) nanocomposites were successfully synthesised using waste-expanded polystyrene (EPS) as a recyclable precursor, thereby addressing plastic pollution through a sustainable materials approach. Unlike previously reported SnO₂–polymer systems that typically rely on virgin polymers or powder photocatalysts, the present work demonstrates the fabrication of reusable self-supported SnO₂–PS nanocomposite films derived from plastic waste, enabling easy catalyst recovery and improved environmental sustainability. The structural, morphological, and optical properties of the nanocomposites were systematically characterised. While pristine PS was amorphous, incorporation of SnO₂ induced crystallinity consistent with the tetragonal phase, as confirmed by prominent (110), (101), (200), and (211) diffraction peaks. AFM analysis revealed a unique vertically aligned hollow chain-like architecture, with surface roughness increasing as SnO₂ loading increased. UV–Vis absorption spectra showed a progressive redshift and band gap narrowing (from ~3.2 to ~3.0 eV), enhancing visible-light harvesting. Photoluminescence intensity decreased with higher SnO₂ content, suggesting suppressed electron–hole recombination and improved charge separation. Photocatalytic activity was evaluated against Indigo Carmine dye, chosen for its wide industrial use, recalcitrant structure, and environmental toxicity. Using a custom-designed 40 W LED photoreactor, the optimum composite achieved ~99% degradation within 30 minutes, with kinetics following a pseudo-first-order model. Preliminary recycling tests confirmed the reusability of the films over multiple cycles with minimal loss of activity. These results demonstrate not only the novelty of converting non-biodegradable EPS into functional photocatalyst films but also their practical potential for wastewater treatment. While advanced photoelectrochemical studies remain a future scope, this work establishes a green, low-cost, and scalable strategy for fabricating reusable polymer–inorganic nanocomposites for environmental remediation. This approach simultaneously addresses plastic waste valorization and dye-contaminated wastewater treatment, highlighting the potential of waste-derived nanocomposites for scalable environmental remediation technologies.</p><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07229-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148837681","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Interfacial coupling-induced electrochemical enhancement for excellent energy storage in Mo3Sn@WO3 heterostructures 界面耦合诱导的电化学增强在Mo3Sn@WO3异质结构中具有优异的储能性能
IF 4.2 4区 材料科学
Journal of Sol-Gel Science and Technology Pub Date : 2026-08-26 DOI: 10.1007/s10971-026-07239-4
Fahad K. Alshammari, A. F. A. Kadir, Aqsa Saeed, Ali Mujtaba, Babar Ali, Manal F. Alshammari, Amjad Salamah Aljaloud, Bandar F. Alsaleh, Mohamed Bouzidi
{"title":"Interfacial coupling-induced electrochemical enhancement for excellent energy storage in Mo3Sn@WO3 heterostructures","authors":"Fahad K. Alshammari,&nbsp;A. F. A. Kadir,&nbsp;Aqsa Saeed,&nbsp;Ali Mujtaba,&nbsp;Babar Ali,&nbsp;Manal F. Alshammari,&nbsp;Amjad Salamah Aljaloud,&nbsp;Bandar F. Alsaleh,&nbsp;Mohamed Bouzidi","doi":"10.1007/s10971-026-07239-4","DOIUrl":"10.1007/s10971-026-07239-4","url":null,"abstract":"<p>The escalating worldwide energy crisis and the ecological consequences of fossil fuels have heightened the demand for high-performance energy storage systems, such as supercapacitors. In this study, a Mo<sub>3</sub>Sn@WO<sub>3</sub> heterostructure was fabricated to enhance the electrochemical performance of WO<sub>3</sub>. Mo<sub>3</sub>Sn enhances electrical conductivity and provides synergistic redox-active sites, leading to improved charge transfer, structural, and electrochemical kinetics. XRD analysis confirmed the formation of a pure heterostructure with an average crystallite size of approximately 21.4 nm. Raman spectroscopy reveals strong interfacial bonding through W-O, Mo-O, and Mo-O-Sn vibrational modes. SEM images demonstrate that it has a porous and interlaced structure with high surface area, while EDX shows that the elements are distributed uniformly. CV curves show strong redox peaks indicating high pseudocapacitive behavior with high reversibility. GCD analysis delivers a specific capacitance of 309 Fg<sup>–1</sup> at 0.8 Ag<sup>–1</sup>, with outstanding rate capacity. The heterostructure also demonstrated excellent cycling stability with 88.7% capacitance retention after 5000 charge–discharge cycles, confirming its outstanding long-term electrochemical durability. The EIS results show that the charge transfer resistance is minimal (0.92 Ω), so there is rapid electron and ion transport. The improved electrochemical performance is due to the synergistic interaction between Mo<sub>3</sub>Sn and WO<sub>3</sub>. This study illustrates that the rational engineering of Mo<sub>3</sub>Sn@WO<sub>3</sub> heterostructures significantly improves interfacial charge transfer and ion diffusion, presenting a viable approach for the advancement of high-performance supercapacitor electrodes and energy storage applications.</p>","PeriodicalId":664,"journal":{"name":"Journal of Sol-Gel Science and Technology","volume":"119 3","pages":""},"PeriodicalIF":4.2,"publicationDate":"2026-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10971-026-07239-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148837608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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