Chemical Physics Impact最新文献

{"title":"Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone","authors":"A.S. Jeevan Chakravarthy ,&nbsp;N.R. Sreenatha","doi":"10.1016/j.chphi.2025.100900","DOIUrl":"10.1016/j.chphi.2025.100900","url":null,"abstract":"<div><div>The synthesized compound, 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethylcyclohexanone (<strong>3</strong>) was characterized through NMR spectroscopy and single-crystal X-ray diffraction analysis. The X-ray studies reveals that compound <strong>(3)</strong> is crystallized in a monoclinic lattice system with the space group:<span><math><msub><mrow><mi>P</mi></mrow><mrow><msub><mrow><mn>2</mn></mrow><mrow><mn>1</mn><mo>/</mo><mi>c</mi></mrow></msub></mrow></msub></math></span>. The structure of molecule as whole adopts a non-planar geometry with puckering environment. The hydrogen bonding interactions of the type C<img>H…O were observed in the crystal packing of title compound <strong>(3)</strong>. These interactions were recognized through computational approach by generating three-dimensional Hirshfeld surfaces with various properties and they are quantified by two-dimensional graphical tool viz. fingerprint analysis. Additionally, the stability and integrity of the crystal packing were assessed by calculating three-dimensional interaction energies using the HF/3-21G energy density model.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100900"},"PeriodicalIF":3.8,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144517428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Plant-mediated biosynthesis of Nickel (II) oxide nanoparticles from Calpurnia Aurea Leaf extract: A promising photocatalyst for malachite green degradation","authors":"Abrha Berhe,&nbsp;Fentahun Tilahun,&nbsp;Amogne Wendu,&nbsp;Worku Lakew","doi":"10.1016/j.chphi.2025.100906","DOIUrl":"10.1016/j.chphi.2025.100906","url":null,"abstract":"<div><div>The current work investigation involves the synthesis of NiO NPs using <em>Calpurnia Aurea</em> leaf aqueous extract-based phytocompounds as NPs facilitating agents for application as effective photocatalyst in the degradation of MG. The obtained NiO NPs were characterized using various techniques, including FTIR, XRD, and SEM. The XRD analyses of NiO NPs indicated the crystalline nature of NiO NPs showed that face- center cubic structure with the average crystalline size, the specific surface area, and percent of crystallinity are 17.61 nm, 49.5 m²/g, and 91.4 % respectively. FTIR analysis showed the presence of a stretching frequency peak at 438 and 557cm^-1, confirming the Ni–O band stretching. Results demonstrated that NiO NPs showed high photo-catalytic rates with 98.17 % degradation of Malachite green (MG) within 30 min under visible light irradiation. Moreover, NiO NPs calcined at 400 °C was more efficient photo-catalyst than the other NiO NPs calcined at 300 °c, and 500 °C with 1.41, and 2.96 times higher kinetic rates for the removal of MG, respectively. The active species involved in degradation process were systematically investigated and a photo-catalytic mechanism was proposed. In addition, NiO NPs showed good recyclability and reusability of resistance to photo-corrosion even after 120 min of consecutive photo-catalytic activity. Overall, the green synthesized NiO NPs exhibited considerable potential for fast and eco-friendly removal of harmful organic dyes.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100906"},"PeriodicalIF":3.8,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144510783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of free radical scavenging activities of some Isatin Schiff bases (OH versus NH). A DFT Study","authors":"Habiba Boudiaf ,&nbsp;Nadjia Latelli ,&nbsp;Roumaissa Khelifi ,&nbsp;Salima Hamadouche ,&nbsp;Lynda Merzoud ,&nbsp;Christophe Morell ,&nbsp;Henry Chermette","doi":"10.1016/j.chphi.2025.100904","DOIUrl":"10.1016/j.chphi.2025.100904","url":null,"abstract":"<div><div>In the present study we analyze various mechanisms of primary antioxidant action of a series of Schiff bases of isatin and its derivatives. For the purpose, theoretical calculations have been performed by means of density functional theory (DFT), using the hybrid functional M05–2X, range-separated functional LC-ωPBE and 6–31+G (d, p) basis set. The reactivity of these Schiff bases has been investigated and interpreted using chemical reactivity descriptors in gas and solvents phase. The two computational approaches used provide identical mechanisms trends in gas and non -polar phase and they are shown that the hydrogen atom transfer (HAT) mechanism is more favored. In contrast, the polarity of the solvent plays a crucial role in the antioxidant activity mechanism, as a higher solvent polarity enhances the contribution of the sequential proton loss electron transfer (SPLET) mechanism. It is found that the isatin group did not suppress the antioxidant effect of the disubstituted Schiff bases products as suggested by the experimental results.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100904"},"PeriodicalIF":3.8,"publicationDate":"2025-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144335890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anticancer activity of phytocompounds of black ginger (Kaempferia parviflora Wall. Ex Baker): In silico approach","authors":"Em Canh Pham,&nbsp;Huong Ha Ly Hong","doi":"10.1016/j.chphi.2025.100903","DOIUrl":"10.1016/j.chphi.2025.100903","url":null,"abstract":"<div><h3>Background</h3><div>The main components of black ginger (BG, <em>Kaempferia parviflora</em> Wall. Ex Baker) show diverse biological effects, especially potential anticancer activity. Furthermore, <em>in silico</em> computational approaches offer a powerful strategy for discovering novel therapeutic candidates from medicinal plants, providing an innovative solution to address the increasing global burden of cancer.</div></div><div><h3>Methods</h3><div>Tentative identification of phytocompounds of BG extracts was performed using the LC-MS method. Thirty-five phytocompounds of BG were screened using molecular docking with AutoDock Vina software against eleven anticancer targets.</div></div><div><h3>Results</h3><div>Five BG phytocompounds KP1, KP2, Viscumneoside VI, and 5-Hydroxy-7-methoxyflavone (5H7M) showed the strongest interactions with multiple anticancer targets compared to the reference drugs. KP1 showed good binding affinity (BA) against five targets (HDAC6 (−8.6 Kcal/mol), EGFR (−9.5 Kcal/mol), mTOR (−9.7 Kcal/mol), PI3K (−10.3 Kcal/mol), and PD1 (−7.9 Kcal/mol)). Meanwhile, Viscumneoside VI exhibited good BA against five targets (HDAC6, CDK2, EGFR, PI3K, and PD1 (−7.9 to −9.4 Kcal/mol)), and 5H7M showed good binding affinity against four targets (DHFR, PI3K, KDR, and PDL1 (−9.5 to 10.0 Kcal/mol)). In particular, KP2 showed good binding affinity and hydrogen bond (HB) formation against six targets, including KDR (−9.8 Kcal/mol) and five targets similar to KP1 (−8.3 to −9.9 Kcal/mol). Phytocompounds KP1, KP2, Viscumneoside VI, and 5H7M exhibited some interactions (HB, electrostatic, and hydrophobic) with amino acid residues of DHFR, HDAC6, CDK2, EGFR, PI3K, ALK, and KDR similar to the reference drugs. Furthermore, these phytocompounds showed good <em>in silico</em> ADMET profiles compared to anticancer drugs.</div></div><div><h3>Conclusion</h3><div>These potential phytocompounds need to be isolated, synthesized and researched more in-depth for the development of new cancer drugs, especially KP1 and KP2.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100903"},"PeriodicalIF":3.8,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330414","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of axial electric and inclined magnetic fields on tri-hybrid nanofluid through an electroosmotic flexible pump for biomedical microfluidic devices","authors":"Syed Modassir Hussain ,&nbsp;Umair Khan ,&nbsp;Adebowale Martins Obalalu","doi":"10.1016/j.chphi.2025.100902","DOIUrl":"10.1016/j.chphi.2025.100902","url":null,"abstract":"<div><div>The advancement of microfluidic technology has opened new frontiers in biomedical applications, necessitating efficient fluid transport mechanisms at microscale dimensions. Among various techniques, electroosmotic pumping stands out due to its ability to provide precise and non-mechanical fluid control, which is crucial for lab-on-chip and organ-on-chip devices. However, optimizing flow characteristics in such systems remains a significant challenge, especially when employing advanced working fluids like tri-hybrid nanofluids. This study investigates the influence of axial electric and inclined magnetic fields on the behavior of a tri-hybrid nanofluid (comprising aluminum oxide (Al₂O₃), molybdenum disulfide (<span><math><mrow><mtext>Mo</mtext><msub><mi>S</mi><mn>2</mn></msub></mrow></math></span>), copper (<span><math><mtext>Cu</mtext></math></span>) nanoparticles) in an electroosmotic flexible microchannel pump. The influence of an inclined magnetic field and thermal radiation on cilia‑modulated slip flow is explored. The flow is assumed to be a two-dimensional, unsteady pumping motion influenced by an axially applied electric field. The Chebyshev Collocation Spectral Method (CCSM) is employed to solve the governing equations numerically with the help of the MATHEMATICA software. Results reveal that the ternary-hybrid nanofluid (THNFs) exhibit 11 % greater thermal transport efficiency than hybrid nanofluids and mono nanofluids, indicating their greater thermal performance. Furthermore, the combined effects of ohmic heating and electroosmotic parameters significantly enhance the fluid temperature. These outcomes highlight the significance of THNFs in increasing thermal transport efficiency in micro/nanofluidic devices.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100902"},"PeriodicalIF":3.8,"publicationDate":"2025-06-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144330415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MOLVIB vs VEDA. Revealing the best program to generate safe and reliable vibrational analysis","authors":"Silvia Antonia Brandán","doi":"10.1016/j.chphi.2025.100898","DOIUrl":"10.1016/j.chphi.2025.100898","url":null,"abstract":"<div><div>In this investigation, complete assignments performed with the MOLVIB program for the two <em>Cis</em> and <em>Trans</em> conformers of 4-Chloro-3-fluorobenzaldehyde optimized at the B3LYP/6–311+G(3df,p) level of theory, the two 4-Amino-3-(4- hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione and thiol tautomers by using B3LYP/6–31+G(d,p), Phomarin by using B3LYP/6–311++<em>G</em>(d,p) and finally, Rabeprazole by using B3LYP/6–31G(d,p) have been compared with the reported for the same compounds with the VEDA program at the same levels of theory. The results evidence that both programs are suitable to perform very good harmonic force fields, however, the atoms numbering, the knowledge of all expected vibration modes for the compound and the correct definitions of the normal internal coordinates are necessary requirements to obtain correct and reliable assignments of the normal vibration modes of species. Hence, only a researcher with expertise in vibrational analysis can generate reliable and secure assignments suitable for identifying a species using the infrared and Raman spectra. Important errors and serious omissions reported in the previous assignments for those compounds with VEDA have been here corrected and supplemented with the more exact harmonic force fields obtained with MOLVIB. Furthermore, the scaled harmonic force constants of studied species have been updated for all compounds for the first time.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100898"},"PeriodicalIF":3.8,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144279786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of bath temperature on physical properties of thin films CuO using the SILAR method: Photocatalytic properties and numerical investigation","authors":"Latifa Znaidi ,&nbsp;Hafsa Diyagh ,&nbsp;Ismail Benaicha ,&nbsp;Nabil Bouri ,&nbsp;Lahoucine El Gana ,&nbsp;Haytham El Farri ,&nbsp;Kawtar Oukacha ,&nbsp;Mounir Fahoume ,&nbsp;khalid Nouneh","doi":"10.1016/j.chphi.2025.100901","DOIUrl":"10.1016/j.chphi.2025.100901","url":null,"abstract":"<div><div>Copper oxide (CuO) thin films were deposited on glass substrates using the Successive Ionic Layer Adsorption and Reaction (SILAR) method, these films synthesized cationic solution temperatures of room temperature (RT), 65 °C, 75 °C, and 95 °C. The effects of varying cationic solution temperatures on the structural, optical, and photocatalytic properties of the CuO thin films were investigated. Characterization was performed using X-ray diffraction (XRD), UV–visible spectrophotometry (UV–Vis), and scanning electron microscopy (SEM). The XRD and SEM results revealed that all films exhibited a polycrystalline structure with monoclinic phases and good substrate coverage. The optical bandgap energy decreased from 1.92 eV to 1.74 eV as the cationic solution temperature increased. Additionally, the photocatalytic performance was evaluated by measuring the degradation of a 10 ppm tetracycline solution. The efficiencies improved from 11.1 % at RT to 18.4 % at 95 °C. Finally, a numerical analysis was conducted using the SCAPS simulation software, employing the identified optimal bandgap of 1.74 eV for degradation. The simulation involved creating a PN junction device with a CuO HTL and different electron transport layers (ETLs: ZnO, TiO₂, WS2 and SnO₂), to examine the effect of CuO film thickness and the shallow doping concentrations of the acceptors (CuO) and donors (ETLs) on current density.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100901"},"PeriodicalIF":3.8,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"TiO2-functionalized mesoporous silica thin films synthesized by spin-coating to enhance methylene blue and methyl orange removal efficiency","authors":"Andreas Federico ,&nbsp;Donanta Dhaneswara ,&nbsp;Toto Sudiro ,&nbsp;Agrin Febrian Pradana ,&nbsp;Iping Suhariadi ,&nbsp;Siti Norasmah Surip ,&nbsp;Jaka Fajar Fatriansyah","doi":"10.1016/j.chphi.2025.100897","DOIUrl":"10.1016/j.chphi.2025.100897","url":null,"abstract":"<div><div>The textile industry as one of the largest industries in the world has been the biggest contributor to global water pollution in recent decades. Azo dyes such as methylene blue (MB) and methyl orange (MO) contained in the textile effluent can be a serious threat to aquatic ecosystem and human health. Thus, an effort to create an effective dye removal is needed. This study studies the application of dye removal by combining adsorption and photodegradation methods through the use of mesoporous silica/TiO₂ thin film fabricated by spin coating. The resulting TiO₂ has anatase phase as confirmed by the XRD result, while mesoporous silica has good surface and pore properties, as evidenced by a surface area of 1291.42 m²/g, a pore volume of 1.91 mL/g, and a pore diameter of 3.07 nm. After exposuring to the 10 ppm MB and MO solutions for four hours at a pH of 7, the synthesized mesoporous silica/TiO₂ thin film exhibited the best removal performance compared to the mesoporous silica thin film and TiO₂ thin film, with removal percentages of 77.90 % and 17.19 % for MB and MO, respectively. The difference in removal performance between MB and MO occurs due to the selective nature of mesoporous silica and TiO₂ caused by different interaction mechanisms.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100897"},"PeriodicalIF":3.8,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144307548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Radiation shielding study of tungsten impact on tellurite-bismuth based glasses","authors":"Kh.A. Bashar ,&nbsp;M.F.N. Jaafar ,&nbsp;Y. Mansur ,&nbsp;S.O. Baki ,&nbsp;M.A. Mahdi","doi":"10.1016/j.chphi.2025.100894","DOIUrl":"10.1016/j.chphi.2025.100894","url":null,"abstract":"<div><div>The current study, a new Pb-free glasses of host (H) and four samples (S1-S4) of tellurite-bismuth-tungsten oxide according to formula: (70-x) TeO₂–10Bi₂O₃–10ZnO-10Al₂O₃- xWO₃, <em>x</em> = 0, 5, 10, 15, 20 mol %, were prepared by traditional melt-quenching method. The phase formation of all samples is analyzed by XRD (x-ray diffraction) were found they are without any crystallization network. Some physical properties like density and molar volume were estimated as well. Within energy of 0.015MeV-15MeV, samples are investigated in terms of gamma ray radiation shielding features. The MCNP5 stimulation code and theoretical XCOM software in addition to the other relevant equations are implemented to determine the mass attenuation coefficient (MAC) values where the other parameters are identified depending on its value such as mean free path (MFP), effective atomic number (Z_eff) and half-value layer (HVL). Also, the exposure build factor (EBF) and energy absorbed build factor (EABF) are evaluated by the geometric progression (G-P) fitting method. The appearance of synthesized glasses reflects that, the increment of WO₃ contents leads to increase the glasses opacity due to their density between 3.532 - 3.912 g/cm3. The uncertainty concentrations of the samples are calculated were they emphasized the accuracy of glass compositions. Moreover, the calculation results of stimulated MCNP5 code and theoretical XCOM program are closely matched, as the difference between them can be neglected. Further, the comparison with other works is made which emphasized the enhancement of the findings. Finally, according to above merits and results, the effectiveness of the radiation shielding features can be obviously recognized which is due to the WO₃ incorporated concentrations.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100894"},"PeriodicalIF":3.8,"publicationDate":"2025-06-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364975","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multifunctional properties of Mg-doped (Ba0.85Sr0.15)TiO3 ceramics: A combined structural, dielectric, electromechanical, and impedance analysis","authors":"Mohammed Mesrar ,&nbsp;Laila Mesrar ,&nbsp;Taj-dine Lamcharfi ,&nbsp;Abdelhalim Elbasset ,&nbsp;Farid Abdi ,&nbsp;Nor-Said Echatoui ,&nbsp;Lhaj El Hachemi Omari","doi":"10.1016/j.chphi.2025.100895","DOIUrl":"10.1016/j.chphi.2025.100895","url":null,"abstract":"<div><div>Ceramics based on Barium Strontium Magnesium Titanate ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) were synthesized via the conventional sol-gel method, with different compositions (x = 0, 2, 4, 6, 8, and 12 mol.%). The resultant powders were calcined at 950°C for 4 hours to stabilize the phase formation. The X-ray diffraction (XRD) analysis, combined with Rietveld refinement using FullProf, verified that undoped samples exhibit a tetragonal structure belonging to the P4mm space group, whereas the incorporation of Mg led to the emergence of a hexagonal phase associated with the R-3 space group. Intermediate compositions exhibited a coexistence of tetragonal and hexagonal phases, without secondary phases. Fourier-transform infrared spectroscopy (FTIR) analysis identified distinctive absorption bands within the 450–600 cm⁻¹ range, attributed to the stretching and bending vibrations of TiO₆ octahedra. Scanning electron microscopy (SEM) images indicated improved densification and reduced grain size, with x = 6 mol.% showcasing a uniform grain distribution and higher density. The average particle size, estimated using Williamson-Hall plots, was found to be in the range of 125–140 nm with an uncertainty of approximately 5–10 %. Dielectric characterization across the frequency range of 1 kHz to 2 MHz demonstrated a diffuse phase transition, with the dielectric permittivity (εr) increasing significantly with Mg doping. Additionally, the dielectric response exhibited broad thermal stability, making these ceramics promising candidates for advanced microelectronic applications. Impedance spectroscopy showed a decrease in grain and grain boundary resistances with increasing Mg²⁺ content, along with an increase in capacitance values, indicating improved charge transport and interfacial polarization. The observed non-Debye relaxation and slight rise in activation energy confirm thermally activated conduction mechanisms influenced by Mg doping. This study highlights the impact of Mg incorporation on the electromechanical, structural, microstructural, and dielectric properties of ((Ba₀.₈₅Sr₀.₁₅)₁₋ₓMgₓTiO₃) ceramics, paving the way for advancements in multifunctional materials.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100895"},"PeriodicalIF":3.8,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144272536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}