Materials Chemistry and Physics最新文献

{"title":"Multi-parameter ultrasonic surface rolling for synergistic enhancement of wear and electrochemical corrosion performance in 20CrMoH steel","authors":"Yanrui Wang ,&nbsp;Shubo Xu ,&nbsp;Tianhua Li ,&nbsp;Ying Zhao ,&nbsp;Chen Xu ,&nbsp;Weihai Zhang ,&nbsp;Wenming Wang ,&nbsp;Lindong Wang","doi":"10.1016/j.matchemphys.2026.132169","DOIUrl":"10.1016/j.matchemphys.2026.132169","url":null,"abstract":"<div><div>The modification of materials via the Ultrasonic Surface Rolling Process (USRP) serves as a pivotal approach for enhancing surface integrity, wear resistance, and electrochemical corrosion performance. Investigations into the impact of USRP on surface integrity encompass analyses from the perspectives of surface roughness, microhardness, and surface residual stress, elucidating the underlying mechanisms through which key process parameters—such as rolling passes, vibration amplitude, and rolling force—affect the material's surface state. Furthermore, the influence of optimized process parameters on surface morphology and microstructure, along with the corresponding performance outcomes, has been systematically characterized.The results indicated that the USRP-treated specimen exhibited a reduction in surface roughness by approximately 80% and an increase in surface microhardness to over 300 HV_0.5, accompanied by the formation of a more pronounced residual compressive stress layer on the surface. Microstructural analysis revealed that USRP led to significant grain refinement in the near-surface region, with the average grain size decreasing from 42 μm to 22 μm. This refinement was accompanied by a high density of dislocations and the formation of lath martensite. The synergistic effects of grain refinement, work hardening, and residual compressive stress contributed to a reduction in wear rate by approximately 90%, as well as a significant decrease in corrosion current density, indicating a notable improvement in electrochemical corrosion performance. Further investigations demonstrated that achieving optimal surface integrity and mechanical performance requires appropriate process parameters, as excessive rolling could induce surface damage and performance degradation.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132169"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190783","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}

{"title":"Cobalt(II) tetra-aminophthalocyanine conjugated folic acid by the Ugi reaction: An efficient heterogeneous biocatalyst for cycloaddition of carbon dioxide to epoxide","authors":"Parisa Momeni Dehaghi ,&nbsp;Tahereh Nasiriani ,&nbsp;Mohammad Taghi Nazeri,&nbsp;Ahmad Shaabani","doi":"10.1016/j.matchemphys.2026.132127","DOIUrl":"10.1016/j.matchemphys.2026.132127","url":null,"abstract":"<div><div>The functionalization of materials through multicomponent reactions (MCRs) has sparked significant interest among researchers due to the development of materials with exceptional properties. Herein, a novel <em>bio</em>-based catalytic system was synthesized <em>via</em> the conjugation of cobalt (II) <em>tetra-</em>aminophthalocyanine (Co-TAPc) and folic acid (FA) (UFA@Co-TAPc) through the Ugi four-component reaction (Ugi-4CR). For this aim, the amine functional groups of the Co-TAPc, benzaldehyde, FA, and cyclohexyl isocyanide participated in the Ugi-4CR to prepare UFA@Co-TAPc as a biocatalyst. The catalytic activity of the synthesized biocatalyst was explored in generating cyclic carbonate derivatives <em>via</em> the chemical fixation of carbon dioxide (CO₂) with epoxides in the presence of tetrabutylammonium bromide (TBAB) as a co-catalyst. The structures of tetra-aminophthalocyanine (TAPc) and FA are rich in nitrogen, and the amide bonds formed <em>via</em> the Ugi reaction have a synergistic effect in CO₂ absorption. Fascinatingly, catalytic experiments demonstrated that the synthesized biocatalyst was highly efficient regarding the chemical fixation of CO₂ (yield 90–98 %), completing it under mild reaction conditions (solvent free, P_CO2 = 1 bar, 2 h, 80 °C). The advantages of this biocatalytic system include its low cost, short reaction time, and environmental friendliness. Moreover, UFA@Co-TAPc, as heterogeneous biocatalyst, is easy to recycle and reuse, show low metal leaching, and reuse over five runs with only a slight reduction in catalytic activity.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132127"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146190774","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}

{"title":"Pre-oxidation-induced MnCr2O4/Cr2O3 scales in HP steels and their role in carburization resistance","authors":"Siriwan Ouampan ,&nbsp;Tanaporn Rojhirunsakool","doi":"10.1016/j.matchemphys.2026.132141","DOIUrl":"10.1016/j.matchemphys.2026.132141","url":null,"abstract":"<div><div>Coking and carburization are critical degradation mechanisms in HP steels used in ethylene cracking furnaces, severely limiting service life and efficiency. This study investigates pre-oxidation at 850 °C and 1100 °C for 1–6 h in air to promote the in-situ formation of protective MnCr₂O₄/Cr₂O₃/SiO₂ oxide scales on centrifugally cast HP steel. At 1100 °C, dense multi-layered scales (∼12 μm) comprising an outer MnCr₂O₄ spinel, an intermediate Cr₂O₃ layer, and a SiO₂-rich interfacial layer were obtained, whereas treatment at 850 °C produced thinner, partially spalled films. XRD and EDS confirmed a marked reduction in surface carbides and carbon concentration (from 11.91 at. % in the as-received alloy to 3.64 at.% after 1100 °C/6 h), indicating effective decarburization. Carburization testing under LPG/N₂ at 850 °C for 24 h showed that the as-received and 850 °C/6 h samples developed filamentous coke (3.11 μm and 6.53 μm, respectively), while the 1100 °C/6 h sample completely suppressed filamentous coke and formed only granular deposits with reduced thickness (1.67 μm), corresponding to &gt;46 % reduction in coke accumulation. Although localized softening occurred in the decarburized zone (140 Hv0.2), the overall mechanical integrity of the alloy remained sufficient for service. These results demonstrate that pre-oxidation at 1100 °C/6 h produces a stable MnCr₂O₄/Cr₂O₃/SiO₂ protective layer, significantly improving resistance to carburization and coking, while offering a simple and cost-effective alternative to conventional coating approaches.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132141"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191529","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}

{"title":"Cobalt-modified CuO nanoparticles as functional interfaces in MAPbI3 perovskite photodiode","authors":"Megha Rana ,&nbsp;Riya Malik ,&nbsp;Ankur Rana ,&nbsp;Suraj P. Khanna ,&nbsp;R. Srivastava ,&nbsp;C.K. Suman","doi":"10.1016/j.matchemphys.2026.132195","DOIUrl":"10.1016/j.matchemphys.2026.132195","url":null,"abstract":"<div><div>Solution processed nanoparticles offer a unique advantage in MAPbI₃ photodetector interfaces by facilitating efficient charge transport. Cobalt-doped copper oxide (Cu_1-xCo_xO, x = 0, 0.02, 0.05, and 0.08) nanoparticles were synthesized by sol-gel method to get homogeneously distributed nanoparticles. X-ray diffraction (XRD) analysis confirmed that all samples retained a monoclinic crystal phase across the doping range. Field-emission scanning electron microscopy (FESEM) revealed a progressive decrease in grain size with increasing cobalt content, while dynamic light scattering (DLS) provided detailed particle size distribution profiles. Optical studies confirm that the nanomaterial exhibits excellent absorption in the visible wavelength range of 300–800nm, and Tauc's analysis reveals that the cobalt doping effectively tunes the optical bandgap of CuO nanoparticles. The synthesized Cu_1-xCo_xO nanomaterials are used as the functional interface in the device configuration of FTO|Cu_1-xCo_xO|MAPbI₃|CuPc|BCP|Al. The Co doping of CuO nanoparticle improves the device performance by appropriate energy band alignment and charge conduction in the interface layer. The 8% Co doped CuO interface layer shows the highest value of current on-off ratio ∼32.58, responsivity ∼44 mA/W and detectivity ∼2.6 <strong>×</strong> 10⁸ Jones under 520 nm illumination at an intensity of 5 mWcm⁻². Our findings pave the way for considering cobalt-doped CuO nanoparticles as promising candidates for functional interface layers in perovskite-based devices, owing to their tunable optical properties, enhanced charge transport, and compatibility with solution-processed architectures.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132195"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191534","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}

{"title":"Facile one-step synthesis of high surface area graphitic carbon nitride exhibiting exceptional photocatalytic rhodamine B degradation","authors":"Mehran Bijari ,&nbsp;Afsaneh Shahbazi ,&nbsp;Nooshin Bijari","doi":"10.1016/j.matchemphys.2026.132040","DOIUrl":"10.1016/j.matchemphys.2026.132040","url":null,"abstract":"<div><div>This study introduces a novel, environmentally sustainable, one-step synthesis method for producing graphitic carbon nitride (g-C₃N₄). The method is characterized by a high specific surface area and remarkable photocatalytic performance, achieved without the incorporation of additives. The synthesis involves combining two precursors, urea and melamine, in a 20/80 wt ratio, followed by thermal treatment under a CO₂ atmosphere to facilitate polymerization. The resultant g-C₃N₄ exhibits a significantly enhanced specific surface area, attributed to the synergistic effects of ammonia gas released during the thermal decomposition of urea and the presence of CO₂ in the polymerization environment. This interplay promotes efficient charge transfer and reduces electron-hole recombination. Consequently, the MU/CO₂ sample achieved a specific surface area of 173.3 m²/g. It demonstrated an impressive 99.2 % degradation rate of rhodamine B at 50 mg/L with a photocatalyst dosage of 0.2 g/L under 50-W LED-visible light irradiation. For comparative analysis, analogous samples were synthesized in air and nitrogen atmospheres. Additional investigations were conducted to assess various factors influencing degradation, reaction kinetics, reusability, and inhibition. This research provides valuable insights into the efficient production of high-quality g-C₃N₄, thereby circumventing the need for multiple synthesis processes or diverse modification additives.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132040"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191532","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}

{"title":"Electrochemical sensor based on Pt-Au nanoparticles-decorated 3D reduced graphene-modified screen-printed electrode for simultaneous determination of herbicides isoproturon and diuron in agricultural products","authors":"Hossein Jamali Paghaleh ,&nbsp;Shohreh Jahani ,&nbsp;Mehran Moradalizadeh ,&nbsp;Mohammad Mehdi Foroughi","doi":"10.1016/j.matchemphys.2026.132067","DOIUrl":"10.1016/j.matchemphys.2026.132067","url":null,"abstract":"<div><div>An electrochemical sensor was created in this work to detect the herbicides isoproturon and diuron at the same time. The sensor was created by combining a platinum-gold bimetallic nanoparticle-decorated three-dimensional reduced graphene oxide (Pt-Au Bm-NPs/3D rGO) nanocomposite, which acted as an effective electrocatalyst, with a screen-printed electrode (SPE). Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were used to analyze the modified electrode's electrochemical characteristics. Because of its many active sites, low charge-transfer resistance, and quick electron transfer, the new Pt-Au Bm-NPs/3D rGO nanocomposite has remarkable electrocatalytic activity. Differential pulse voltammetry (DPV) and CV methods were used to evaluate the sensor's isoproturon detection capabilities. The modified electrode was also used to detect isoproturon when diuron was present. With linear ranges of 0.001–700.0 μM, and detection limits (LOD) of 0.19 nM and 0.22 nM for isoproturon and diuron, respectively, the sensor showed exceptional sensitivity under ideal circumstances. Additionally, when used on agricultural items, the sensor showed outstanding precision and dependability, demonstrating its potential for practical uses.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"354 ","pages":"Article 132067"},"PeriodicalIF":4.7,"publicationDate":"2026-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146191693","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}

{"title":"Hierarchical Bi2O3–CeO2 nanocomposites for multi-functional applications: Dielectric-Driven humidity sensing and electrochemical energy storage","authors":"Amna Bashir ,&nbsp;Maryam Aleem ,&nbsp;Hafiz Talha Hasnain Rana ,&nbsp;Effat Yasin ,&nbsp;Zahid Imran ,&nbsp;Naveed Akhtar Shad ,&nbsp;Kh Abd El-Aziz ,&nbsp;Ifra Arshad ,&nbsp;Hafiz T. Ali ,&nbsp;Yasir Javed","doi":"10.1016/j.matchemphys.2026.132123","DOIUrl":"10.1016/j.matchemphys.2026.132123","url":null,"abstract":"<div><div>The bismuth–cerium bimetallic oxide (Bi₂O₃/CeO₂) nanocrystals were synthesized using a hydrothermal method and thoroughly analyzed for their dielectric, electrical, and electrochemical properties over a wide range of temperatures and frequencies. The nanocrystals exhibited significant dielectric relaxation and field-driven polarization characteristics, with the improved capacitive response at elevated temperatures being linked to thermally activated space-charge polarization within the Bi–O framework. A maximum dielectric constant (<em>ε</em>′) of 22.14 was recorded at 340 K, and the steady decline in dielectric loss with increasing temperature suggested enhanced dielectric stability and lower energy dissipation during thermal stress. The optimized Bi₂O₃/CeO₂ (1:1.25) composition demonstrated remarkable humidity sensitivity, low impedance, and excellent reversibility while exhibiting low hysteresis (∼ 1.2 % RH), affirming its multifunctional capabilities. The electrochemical analysis demonstrated a specific capacitance of 513 F/g at a scan rate of 5 mV/s (CV) and 410 F/g at a current density of 3 A/g (GCD), indicating exceptional charge storage capacity and stability under varying rates. The findings emphasize that the combined effect of Bi³⁺ and Ce⁴⁺ ions facilitates effective charge transfer, defect-mediated conduction, and consistent polarization dynamics. The Bi₂O₃/CeO₂ nanostructure presents itself as a compelling option for high-temperature dielectric applications, humidity sensors, and advanced electrochemical energy storage systems. Future exploration of flexible or integrated energy-sensor platforms may significantly enhance their technological applicability in multifunctional smart devices.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132123"},"PeriodicalIF":4.7,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025554","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}

{"title":"Heterostructured photoredox TiO2/CuO degraded mixed textile pollutants under natural sunlight irradiation","authors":"Dipti Rani ,&nbsp;Vikas Kumar ,&nbsp;Mahender Pal ,&nbsp;L.P. Purohit ,&nbsp;Sanjeev Kumar Sharma ,&nbsp;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 (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 (<em>E</em>_g = 2.68 eV). The <em>E</em>_g 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.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132119"},"PeriodicalIF":4.7,"publicationDate":"2026-04-01","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}

{"title":"Carbazole benzonitrile derivatives: A study on the photophysical properties of efficient dual state emission with simple substituents","authors":"Kexuan Li ,&nbsp;Xiao Song ,&nbsp;Tongyue Shi ,&nbsp;Yongliang Liu ,&nbsp;Shengbo Zhu","doi":"10.1016/j.matchemphys.2026.132106","DOIUrl":"10.1016/j.matchemphys.2026.132106","url":null,"abstract":"<div><div>Since the development of organic light-emitting materials, they have become a major research focus. However, developing efficient emission molecules both in solid states and in solution materials (dual-state emission, DSE) still remain challenges. In this study, a series of D-A type molecules named <strong>CzCN</strong>, <strong>CzFCN</strong>, <strong>CzMeCN</strong> and <strong>CztfMeCN</strong> were synthesized, the cyanobenzene acted as the acceptor core and 3,6-ditert-butylcarbazole acted as the donor, different functional substituents are introduced onto the benzene ring. Photophysical studies reveal that all four molecules exhibit typical charge transfer effects, aggregation-induced emission enhancement properties, and high photoluminescence quantum yields (PLQY) both in different solvents and in the solid states, which makes them the candidates of the high performance DSE materials. Substituents markedly influence molecular photophysical properties: fluorine and trifluoromethyl groups broaden the emission spectrum, while even a simple methyl group can induce notable changes. <strong>CzMeCN</strong> shows efficient emission with a PLQY of 57.8 % in THF and 72.9 % in the solid state, and exhibits a narrower full width at half maximum (FWHM) than other molecules in both states. This study provides new insights into the design of highly efficient DSE materials based on carbazole, revealing that simple functional group substitution can significantly enhance fluorescence performance.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132106"},"PeriodicalIF":4.7,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146025541","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}

{"title":"Synthesis and characterization of BaO- incorporated bismuth-borate glass for gamma radiation shielding: structural, optical, and functional properties","authors":"Issam Saber ,&nbsp;Abdelali Talbi ,&nbsp;Soumya Ferraa ,&nbsp;Rachid Hsissou ,&nbsp;Mouhsine Galai ,&nbsp;Mustapha Belfaquir ,&nbsp;Abdelkarim Chaouiki ,&nbsp;Mohamed Salaheddine El youbi ,&nbsp;Jawza A. Almutairi ,&nbsp;Abeer A. AlObaid","doi":"10.1016/j.matchemphys.2026.132147","DOIUrl":"10.1016/j.matchemphys.2026.132147","url":null,"abstract":"<div><div>This study investigates the effect of barium oxide (BaO) incorporation on the structural, optical, thermal, and radiation shielding properties of bismuth-borate glasses. Various characterization techniques, including X-ray diffraction (XRD), optical absorption spectroscopy, Raman spectroscopy, and Fourier transform infrared (FTIR) spectroscopy, were employed to analyze the glasses. The radiation shielding properties, which are crucial for applications in photonics and radiation protection, were also thoroughly assessed. The physical analysis revealed that the addition of BaO resulted in an increase in the glass density (ρ), from 5.712 g/cm³ to 6.121 g/cm³, while the molar volume (V_m) decreased from 130.328 cm³/mol to 44.364 cm³/mol. XRD confirmed the amorphous nature of the samples. Thermal analysis demonstrated that as BaO content increased, both the glass transition temperature (T_g) and crystallization temperature (T_c) also rose. FTIR and Raman spectroscopy revealed absorption bands corresponding to structural units such as [BO₄], [Bi–<em>O</em>–Bi], and [BiO₆], indicating a depolymerized glass network. Optical analysis showed that the bandgap energy for direct transitions decreased from 2.80 eV to 2.52 eV with increasing BaO content. This change aligns with the observed structural modifications, suggesting the formation of non-bridging oxygen atoms. Radiation shielding properties, evaluated using Phy-X simulations, indicated a significant enhancement in radiation shielding efficiency, particularly at low energies. For instance, at 0.284 MeV, the mass attenuation coefficient (MAC) decreased from 0.430 cm²/g for the base glass to 0.259 cm²/g for the glass containing 0.8 mol of BaO. Additionally, the linear attenuation coefficient (LAC) dropped from 2.456 cm⁻¹ for Ba₀ to 1.586 cm⁻¹ for Ba_0.8. Scanning electron microscopy (SEM) and energy-dispersive spectroscopy (EDS) analyses revealed that higher BaO concentrations led to greater surface heterogeneity and granular formations. These results suggest that BaO-incorporated bismuth-borate glasses exhibit improved structural, optical, and radiation shielding properties, making them promising candidates for photonic and radiation protection applications.</div></div>","PeriodicalId":18227,"journal":{"name":"Materials Chemistry and Physics","volume":"353 ","pages":"Article 132147"},"PeriodicalIF":4.7,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146170756","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}