Chemical Physics Impact最新文献

{"title":"Eco-optimized PbO2CaO-B2O3 glasses for chargeless radiation shielding: An integrated experimental and theoretical investigation on the role of BaO and Sm2O3 doping","authors":"Manjunatha ,&nbsp;Mohamed Y. Hanfi ,&nbsp;M.I. Sayyed ,&nbsp;A.S. Bennal","doi":"10.1016/j.chphi.2025.100936","DOIUrl":"10.1016/j.chphi.2025.100936","url":null,"abstract":"<div><div>The pursuit of efficient, stable, lead-compatible, and transparent radiation-shielding materials is vital for chargeless radiation, such as gamma and neutron shielding applications. In this study, a new series of BaO (19–25 mol %) and Sm₂O₃ (1–4 mol %) doped 11PbO₂-xBaO-10CaO-(79-x-y)B₂O₃-ySm₂O₃ glasses were synthesized via the conventional melt-quenching technique. X-ray diffraction (XRD) analysis confirmed the amorphous nature and ensured its structural uniformity of the samples. Density measurements showed a significant increase from 3.953 to 4.388 g/cm³ with increasing BaO and Sm₂O₃ content. The gamma radiation shielding performance was experimentally determined using a NaI(Tl) detector with gamma sources, including ¹³³Ba, ²²Na, ¹³⁷Cs, and ⁶⁰Co isotopes. Theoretical evaluations of radiation shielding parameters, including the mass attenuation coefficient, linear attenuation coefficient, half-value layer, tenth value layer, mean free path, and effective atomic number, were performed using the Phy-X/PSD database. At 356 keV, the LAC increased from 0.587 cm^-1 for the sample containing 1 mol % Sm₂O₃ to 0.650 cm^-1 for the sample containing 4 mol % Sm₂O₃. The neutron shielding effectiveness was assessed using the effective removal cross-section (Σ_R) of the material. The MFP at 356 keV decreased from 1.649 cm in the base glass (19BaO + 1Sm₂O₃) to 1.458 cm (25BaO + 4Sm₂O₃) in the optimized composition. The combined presence of BaO and Sm₂O₃ produced a synergistic effect, making these glasses promising candidates for advanced radiation-shielding applications.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100936"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145026345","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":"DFT, MM and ADMET integrated computations on a naturally occurring biomolecule (Luteolin-7-O-β-d-glucoside) and its interaction with various protein-receptors reveal its phase-dependent nonlinear optical and multifunctional drug activity","authors":"Ryan John Laverne ,&nbsp;Anjali Sharma ,&nbsp;Abha ,&nbsp;Aman Tiwari ,&nbsp;Sudheesh K. Shukla ,&nbsp;Penny P. Govender ,&nbsp;Ashok Kumar Mishra","doi":"10.1016/j.chphi.2025.100978","DOIUrl":"10.1016/j.chphi.2025.100978","url":null,"abstract":"<div><div>This study presents a comprehensive computational investigation of Luteolin<em>-7-O-β-<span>d</span>-</em>glucoside, a flavonoid glycoside isolated from <em>Cucumis sativus</em> L. (cucumber) seeds, using integrated density functional theory (DFT), molecular mechanics (MM), and ADMET analysis. DFT calculations at the B3LYP/6–31+<em>G</em>(d,p) level are performed to analyze spectroscopic properties (IR, NMR, UV–Visible), nonlinear optical characteristics, frontier molecular orbitals, molecular electrostatic potential surface and thermodynamic parameters. The optimized structure exhibited 150 vibrational modes with no imaginary frequencies. IR and NMR spectra for the titled molecule show good agreement between calculated and experimental spectroscopic data. UV–vis spectrum is reported, and its analysis revealed maximum absorption at 357.50 nm with a transition energy of 3.47 eV and oscillator strength 0.433. Electronic structure analysis demonstrates a narrow HOMO-LUMO gap (0.146 au), indicating high chemical reactivity and charge-transfer capacity. Remarkable phase-dependent NLO characteristics are observed, with first-order hyperpolarizability values 70 times higher than that of the reference molecule urea in the gas phase and 206 times higher in ethanol solution. Molecular docking studies against seven physiologically relevant proteins reveal strong binding affinities and optimal interaction against hepatitis B viral capsid with final intermolecular energy of −13.53 kcal/mol and binding free energy of −10.25 kcal/mol at 30 nM inhibition constant. ADMET analysis indicates favourable safety profiles with moderate bioavailability. The integrated computational approach demonstrates that Luteolin<em>-7-O-β-<span>d</span>-</em>glucoside may be explored as a potential multifunctional drug candidate for hepatitis B, Alzheimer's disease, cancer, type 2 Diabetes and other metabolic diseases, along with nonlinear optical applications that dominate in the liquid phase.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100978"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145690394","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":"A study of electrochemical properties of Fe doped spinel copper cobaltite CuCo2O4 for supercapacitor application","authors":"R. Amirthavalli,&nbsp;A. Nishara Begum,&nbsp;M. Parthibavarman,&nbsp;Vibee Mithran K S","doi":"10.1016/j.chphi.2025.100907","DOIUrl":"10.1016/j.chphi.2025.100907","url":null,"abstract":"<div><div>The pursuit of higher energy and power densities in nanomaterials and micromaterials has been the primary cause of the current explosion in supercapacitor research. In this study, spinel pure copper cobaltite CuCo₂O₄ (CC0) and Fe doped CuCo₂O₄ electrodes at different mole concentrations (FCC1–0.05 M, FCC2–0.1 M, FCC3–0.15 M, and FCC4–0.2 M) of metal mole complexes are made utilizing the sol-gel procedure using solvents such as citric acid and water. Using Fourier Transform Infrared (FTIR), X-ray diffraction (XRD), Scanning Electron Microscope (SEM), HRTEM, and XPS, the resulting sample is systematically examined to analyze its functional group, crystallite size, shape, and chemical composition. All electrodes are Electric Double Layer Capacitors (EDLCs), according to the Cyclic Voltammetry (CV) test. The Galvanostatic Charge – Discharge (GCD) analysis confirmed that the pure CuCo₂O₄ (CC0) electrode has a specific capacitance of 80.61F/g at the same current density, while the Fe doped 0.2 M CuCo₂O₄ (FCC4) electrode has the highest specific capacitance, reaching 163.20F/g at a current density of 1 A/g. Following that, a two-electrode configuration is constructed, such as a Fe doped 0.2 M CuCo₂O₄ (FCC4) electrode and an activated carbon (AC) electrode. With a specific capacity of 11.62 F/g at a current density of 1 A/g, an energy density of 2.32 Whkg^-1, and an impressive power density of 149.99 Wkg^-1, the ASC device exhibits outstanding characteristics. The device has a high total capacitive retention value of 99.84 % after 2000 cycles, and supercapacitor devices in particular show remarkable cycle stability. These findings demonstrate that the Fe doped 0.2 M CuCo₂O₄ (FCC4) electrode has superior electrochemical performance, making it a promising electrode material for supercapacitor applications compared to pure CuCo₂O₄ (CC0).</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100907"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144725031","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":"Evolution of surface architectures in sol-gel spin coated multilayered ZnO thin films","authors":"Mahesh Malpani ,&nbsp;Saikat Chattopadhyay ,&nbsp;R.D.K. Misra ,&nbsp;Kamakhya Prakash Misra","doi":"10.1016/j.chphi.2025.100974","DOIUrl":"10.1016/j.chphi.2025.100974","url":null,"abstract":"<div><div>Multilayered zinc oxide (ZnO) thin films were successfully deposited by spin coating technique on glass substrates. The number of layers were kept as 5, 10, 15, 20, 25, and 30 and their structural, morphological, elemental, and optical properties were studied. X-ray diffraction (XRD) study confirmed the wurtzite phase. The calculations revealed that the anion-cation bond length increased from 3.79 to 3.91 Å with number of layers. The crystallite size was ∼7–8 nm. Scanning electron microscope (SEM) indicated small cuboidal structure on the surface which led to clustered particles and eventually into a rod-like structures, with the increase in the number of layers. Energy-dispersive X-ray spectroscopy (EDX) revealed information on the elemental composition in which the content of Zn was increased monotonically from 5.5 to 9.9 at.% with increase in layers. Chemical bonds and functional groups were identified using Fourier transform infrared (FTIR) spectroscopy. Additionally, measurements of optical contact angles were performed to evaluate the ZnO thin films' surface wettability which showed that all the thin films were hydrophilic. Comprehensive evolution of properties indicated that spin-coated ZnO thin films can lead to variety of surface architectures, with potential for optical ability.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100974"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619889","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":"A sol-gel fabrication, characterization, and boosted photocatalytic activity of a zinc-substituted nickel ferrite: RSM optimization study","authors":"Safoura Sharafzadeh ,&nbsp;Alireza Nezamzadeh–Ejhieh ,&nbsp;Javad Zolgharnein","doi":"10.1016/j.chphi.2025.100963","DOIUrl":"10.1016/j.chphi.2025.100963","url":null,"abstract":"<div><div>In the current project, to degrade metronidazole aqueous solution, NiFe₂O₄ and ZnFe₂O₄ nanophotocatalysts have been used individually and in combination. The sol-gel method was used for the synthesis of single and combined photocatalysts. To identify them, XRD, DRS, EDX, SEM, VSM, FT-IR and X-ray mapping methods were used. The Scherrer and Williamson-Hall models were used to calculate crystallite size. The values for the Scherrer formula are 20.5, 25.2 and 14.8 nm for zinc ferrite, nickel ferrite and zinc-substituted nickel ferrite, respectively, and 27.3, 26.5 and 20.4 nm by the Williamson-Hall formula. Band gap energies obtained from DRS are 1.59, 1.39 and 1.79 eV for Zn_0.75Ni_0.25Fe₂O₄, NiFe₂O₄ and ZnFe₂O_4, respectively. The proposed mechanism, due to the DRS result, is a p-n junction. EDX results showed that the distribution of components is homogeneous, also confirming the mole ratio of 1:3 for Zn: Ni in Zn_xNi_1-xFe₂O₄. VSM results confirm that all of the photocatalysts have magnetic properties. The magnetic properties, crystallite size, and lattice parameters were systematically analyzed, revealing that Zn substitution reduces saturation magnetization while influencing microstructural features. Among the photocatalysts tested, Zn_0.75Ni_0.25Fe₂O₄ showed the highest MZ degradation efficiency, attributed to enhanced e⁻/h⁺ separation. An acceptable value of R² (0.9816) for the quadratic model indicates good regression for the plot of predicted and experimental data. The highest degradation rate of metronidazole solution (86.4 %) was achieved under the following conditions: irradiation time: 70 min, pH: 5, metronidazole concentration: 5 mg/L, and dose of catalyst: 0.8 g/L.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100963"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462998","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":"DFT investigation of adsorptions of C2×2 and C2×4 (X=H, F) molecules on Ni-decorated Mg4O4 nanoclusters","authors":"Shahin Abasaltian ,&nbsp;Reza Ghiasi ,&nbsp;Sahar Baniyaghoob","doi":"10.1016/j.chphi.2025.100924","DOIUrl":"10.1016/j.chphi.2025.100924","url":null,"abstract":"<div><div>In this research, adsorptions of C₂×₂ and C₂×₄ (<em>X</em> = <em>H</em>, F) molecules on the Mg₄O₄ cluster and Ni-decorated Mg₄O₄ nanoclusters was inspected at the LC-ωPBE/6–311G(d,p) level of theory. Energetic aspects of adsorption process were exemplified. Structural parameters and polarity changes in the studied systems were explored. Molecular orbital analysis of the Mg₄O₄…C₂×₂, Mg₄O₄… C₂×₄, (<em>X</em> = <em>H</em>, F) and corresponding Ni-decorated molecules was provided. Charge decomposition analysis (CDA) was used to illustration charge transfer between two fragments. Characterizations of NiC bonds were studied by Quantum theory of atoms in molecules (QTAIM) analysis. Also, interactions between cluster with C₂×₂ and C₂×₄ molecules were explored with interacting quantum atoms (IQA) approach. Noncovalent interaction (NCI) analysis provided useful information about interactions between fragments.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100924"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144781005","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":"Enhanced antibacterial and wound healing properties for Ni-Zn-Co ferrite nanoparticles","authors":"Dhivya Bharathi S ,&nbsp;Radhakrishnan Vidya ,&nbsp;Rajan Babu D","doi":"10.1016/j.chphi.2025.100980","DOIUrl":"10.1016/j.chphi.2025.100980","url":null,"abstract":"<div><div>The antimicrobial and wound healing properties of Zn_0.2Co_0.8-xNi_xFe₂O₄ (x = 0.2, 0.4, 0.6, and 0.8) nanoparticles, prepared through the sol-gel auto-combustion technique, were examined in this investigation. The physical and chemical characteristics of the obtained materials were studied using XRD, FTIR, XPS, FESEM, EDS, BET, and VSM. When tested for antibacterial action against both Gram-positive and Gram-negative bacteria, the nanoparticles exhibited inhibition against both types of bacteria within the 10 mg/mL dosage range. No significant antifungal activity was observed. The PANC1 and L929 cell line was used in the cytotoxicity test for the synthesized nanoparticles. Fibroblast migration and proliferation were confirmed using a wound healing assay, which involves artificial wound shrinking. For all biological experiments, Zn_0.2Co_0.8-xNi_xFe₂O₄ (x = 0.8) exhibited better responses than other Zn_0.2Co_0.8-xNi_xFe₂O₄ concentrations (x = 0.2, 0.4, and 0.6). These findings demonstrate that employing a combination of doping on the synthesized nanoparticles enhances their biological activity.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100980"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145619884","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":"Enhanced solar energy harvest in dye-sensitized solar cells using silver-doped TiO2 Photoelectrodes via Spray Pyrolysis","authors":"Piranave Sritharan ,&nbsp;Meena Senthilnanthanan ,&nbsp;Punniamoorthy Ravirajan ,&nbsp;Dhayalan Velauthapillai ,&nbsp;Gamaralalage Rajanya Asoka Kumara ,&nbsp;Balraju Palanisamy","doi":"10.1016/j.chphi.2025.100910","DOIUrl":"10.1016/j.chphi.2025.100910","url":null,"abstract":"<div><div>This study focuses on doping TiO₂ with trace amounts of Ag⁺ ions, employing spray pyrolysis to prepare the Ag-doped TiO₂ photoelectrode for application in Dye-Sensitized Solar Cells (DSSCs). In this regard, Ag-doped TiO₂ nanomaterials were initially synthesized from Titanium(IV) isopropoxide (TTIP) with varying concentrations of Silver nitrate (AgNO₃). The structural and optical characterizations of the synthesized nanomaterials confirmed the presence of TiO₂ in pure anatase phase and enhanced light absorption, respectively. The morphological characterization of Ag-doped TiO₂ nanomaterials revealed spherical shaped particles. Subsequently, the DSSCs were fabricated using Ruthenium-based N719 dye and imidazolium iodide/ triiodide redox couple as the sensitizer and electrolyte, respectively. Photovoltaic performances were evaluated under simulated solar irradiation (100 mW cm⁻², 1 sun, AM 1.5). The optimized device with 3 mmol % Ag-doped TiO₂ photoelectrode exhibited PCE (η) of 8.32 %, which was about 13 % greater than the device with un-doped TiO₂ (η = 7.35 %). The observed upsurge in PCE is due to the 10 % increase in short-circuit current density (<em>J_SC</em>) value resulting from enhancement in visible light absorption which was confirmed by UV–Visible spectroscopic analysis. Moreover, an improved electron transport in the Ag-doped TiO₂ based device was confirmed by electrochemical impedance spectroscopic study which is ascribed to the significant reduction in charge recombination. These findings demonstrate the potential of Ag-doped TiO₂ for enhanced DSSC performance, offering a viable pathway for improving solar energy conversion efficiency.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100910"},"PeriodicalIF":3.8,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144588753","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":"Advanced optical and gamma-ray shielding behavior of Bi2O3-doped molybdenum iron borosilicate glasses","authors":"Asmae Mimouni ,&nbsp;Dalal Abdullah Aloraini ,&nbsp;Ateyyah M. AlBaradi ,&nbsp;Kh.S. Shaaban","doi":"10.1016/j.chphi.2025.100962","DOIUrl":"10.1016/j.chphi.2025.100962","url":null,"abstract":"<div><div>Glasses with the structure 18SiO₂–42B₂O₃–13MoO₃–2Fe₂O₃-(25-<em>x</em>)Li₂O-<em>x</em>Bi₂O₃, where x=(0, 2, 4, 8, and 10 <em>mol. %</em>) were synthesized. The density (ρ) increased systematically from 2.88 to 3.69 <em>g/cm³</em> with the rise in Bi₂O₃ content. Their optical absorption properties were systematically investigated. In addition, the effect of structural modifications within the glass network was analyzed in detail, revealing how these changes contribute to the enhancement of the optical performance of the prepared glasses. The red shift in the absorption edge, along with the increased proportion of (NBOs), is considered the primary cause for the reduction in the optical band gap. Calculations of the optical band gap revealed a decreasing trend with increasing Bi₂O₃ content, indicating an increase in structural disorder. In the studied glass samples, the elastic moduli exhibit a decreasing trend with increasing Bi₂O₃ concentration. The shielding parameters against radiation were assessed. Results showed that the half-value layer (HVL) and mean free path (MFP) decreased progressively. The higher Bi₂O₃ content is responsible for its superior shielding performance. These findings demonstrate that the samples are effective radiation shielding materials.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100962"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462999","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":"Revealing optical, mechanical and radiation shielding behavior of ZnO-PbO2-SiO2 Glasses","authors":"M.I. Sayyed ,&nbsp;J.S. Ashwajeet ,&nbsp;M.N. Raghavendra ,&nbsp;K.A. Mahmoud ,&nbsp;Yasser Maghrbi","doi":"10.1016/j.chphi.2025.100949","DOIUrl":"10.1016/j.chphi.2025.100949","url":null,"abstract":"<div><div>A four zinc lead silicate glass series was fabricated for the optical and radiation shielding applications. To measure the prepared glasses' density, the Archimedes method was used, whereby the measurements showed that a 39–45 mol% PbO₂ increase raises the prepared glasses' density from 5.699 to 6.106 g/cm³. Furthermore, the prepared glasses' absorption spectra were detected via a UV-visible spectrophotometer (UV-T-7200 model) within the 190–1100 nm spectral range. With increasing PbO₂ concentration, the energy band gap of the prepared glasses decreases, while the refractive index increases. Also, to investigate the prepared glasses' mechanical properties, the Makishima-Makinzie theory was applied. The investigation revealed that all the mechanical properties slightly decreased due to the increased concentration of PbO₂. Additionally, across the 0.015–15 MeV energy range, Monte Carlo simulation was applied to evaluate the prepared glasses' radiation shielding properties. Due to the increase in PbO₂ concentration, the evaluations depict the radiation shielding properties' enhancement. The 39–45 mol% PbO₂ concentration increase raises the linear attenuation coefficient (LAC) through 9.074–10.168 cm^–1 (at 0.08 MeV), 0.460–0.498 cm^–1 (at 0.8 MeV), and 0.218–0.238 cm^–1 (at 8 MeV). The LACs of the currently manufactured PbSi glasses are higher than those of commercial glasses, including RS 253, RS 253 G18, RS 323 G19, RS 360, and RS 520.</div></div>","PeriodicalId":9758,"journal":{"name":"Chemical Physics Impact","volume":"11 ","pages":"Article 100949"},"PeriodicalIF":4.3,"publicationDate":"2025-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412495","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}