Physica B-condensed Matter最新文献

{"title":"Molecular dynamics simulation of the tensile properties of polycrystalline α-Fe: Effects of hydrogen concentration, temperature, and grain size","authors":"Mingquan Li ,&nbsp;Wenhong Ding ,&nbsp;Hongyuan Ding ,&nbsp;Zuwei Gan ,&nbsp;Liang Xie ,&nbsp;Yuman Sun ,&nbsp;Zhuang Chen","doi":"10.1016/j.physb.2025.417291","DOIUrl":"10.1016/j.physb.2025.417291","url":null,"abstract":"<div><div>Hydrogen embrittlement (HE) significantly degrades the mechanical properties of steel materials. Under varying hydrogen concentrations and temperatures, the HE behavior of materials with smaller grain sizes and a higher proportion of grain boundaries (GB) differs markedly from that of polycrystalline materials with larger grain sizes. Molecular dynamics simulations were employed to study the uniaxial tensile behavior and deformation mechanisms of polycrystalline α-Fe models under different hydrogen concentrations, temperatures, and grain sizes. The results show that as the hydrogen concentration increases from 0 % to 1 %, the ultimate tensile strength (UTS) and fracture strain (ε_f) of the steel decrease significantly. Beyond 1 % hydrogen concentration, the UTS of models with smaller grain sizes continues to decrease. The saturation hydrogen concentration for models with grain sizes of 2.84 and 2.5 nm is 1 %, while for the 2.14 nm grain size model, the hydrogen concentration does not reach saturation. As the grain size decreases, the proportion of grain boundaries increases, leading to a higher corresponding saturation hydrogen concentration. The peak stress of each model decreases with increasing temperature. The hydrogen diffusion coefficient decreases with decreasing grain size and also decreases with lower temperatures. Models with smaller grain sizes can weaken the suppression of local energy release by hydrogen atoms, thereby reducing their promoting effect on crack initiation and propagation. Therefore, the smaller the grain size, the better the material's resistance to HE. This study elucidates the rules of hydrogen-grain size-temperature interactions on mechanical properties on an atomic scale, providing a theoretical basis for understanding hydrogen embrittlement behavior in steel.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417291"},"PeriodicalIF":2.8,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865150","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optoelectronics, mechanical and thermoelectric properties of wide-band-gap semiconductors MgXS: X= Cd, Zn in the non-magnetic rock salt phase","authors":"Esma Semassel ,&nbsp;Athmane Meddour ,&nbsp;Chahrazed Bourouis","doi":"10.1016/j.physb.2025.417286","DOIUrl":"10.1016/j.physb.2025.417286","url":null,"abstract":"<div><div>Utilizing the linearized augmented plane wave method within the wien2k package, based on Density Functional Theory (DFT) calculation, we investigate the structural, mechanical, electronic, optical, and thermoelectric properties of the semiconductor compounds Mg_0.875 × _0.125S (X = Cd, Zn) in their non-magnetic rock salt structure of type (B1) and space group Fm <span><math><mrow><munder><mn>3</mn><mo>_</mo></munder></mrow></math></span> m (225). We calculate the structural and mechanical properties using the WC-GGA approximation, evaluate the electronic and optical properties using the TB-mBJ approximation, and determine the thermoelectric properties using the Boltztrap code.</div><div>The obtained elastic constants, Pugh ratio, and bulk modulus B (GPa) indicate that the compounds Mg_0.875 × _0.125S (X = Cd, Zn) are fragile yet mechanically stable.</div><div>Moreover, the Debye temperature θ_D (K) of binary compound MgS is high, at 772.90 K. The energy gap values for MgS, Mg_0.875Cd_0.125S, and Mg_0.875Zn_0.125S equal 4.043 eV, 3.09 eV, and 2.82 eV, respectively. When we go from binary MgS to the ternaries containing Cd and Zn respectively, The gap moves from the ultraviolet region to the visible region. The wide band gap of the compounds constitutes an advantage for their applications in optoelectronics and photovoltaics. The compounds studied exhibit an intense peak in the ultraviolet region in the spectra of the real and imaginary parts of the dielectric constant, the absorption coefficient α(ω), and the optical conductivity σ(ω), suggesting promising opportunities for optoelectronics applications. The study of thermoelectric properties of compounds has shown that they are interesting from this point of view because of the significant values of their figures of merit (ZT).</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417286"},"PeriodicalIF":2.8,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143874060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The vibrational and thermal properties of Mg2Si: Anharmonic effects","authors":"Abdallah Qteish ,&nbsp;Maram Amayreh ,&nbsp;Nooralhuda Yousuf ,&nbsp;Iyad I. Al-Qasir","doi":"10.1016/j.physb.2025.417200","DOIUrl":"10.1016/j.physb.2025.417200","url":null,"abstract":"<div><div>Magnesium silicide is an efficient thermoelectric material with many other technological and industrial applications. Understanding its thermal properties is crucial, yet these fundamental properties remain insufficiently explored both experimentally and theoretically. This work presents the results of a thorough first-principles study of the temperature (<span><math><mi>T</mi></math></span>)-dependence of phonon frequencies and thermal properties of Mg<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Si. The anharmonic <span><math><mi>T</mi></math></span>-dependence of phonon frequencies has been computed, for the first time, using two advanced approaches (temperature dependent effective potential and ab-initio determination of anharmonic phonon peaks). The calculated results are discussed in comparison with each other and with the available experimental data obtained by Raman spectroscopy. A method for enhancing the agreement between calculated and experimental data is proposed. Using a recently developed approach that greatly extends the validity range of the quasi-harmonic approximation, accurate predictions of the thermal properties (namely, thermal expansion, specific heat, and isothermal bulk modulus) of Mg<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>Si are provided.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417200"},"PeriodicalIF":2.8,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868478","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Optical limiting and two-photon absorption in transition metal and rare earth-doped CeO2 nanoparticles","authors":"R. Munirathnam ,&nbsp;H.C. Manjunatha ,&nbsp;Y.S. Vidya ,&nbsp;L. Seenappa ,&nbsp;K.N. Sridhar ,&nbsp;T.C. Sabari Girisun ,&nbsp;T. Sharmila ,&nbsp;S. Veera Rethina Murugan","doi":"10.1016/j.physb.2025.417226","DOIUrl":"10.1016/j.physb.2025.417226","url":null,"abstract":"<div><div>CeO₂(Cerium Oxide), CeO₂: Cu, CeO₂: Zn, CeO₂: Co, CeO₂: Ag and CeO₂: Eu nanoparticles at 11 mol% concentration are synthesized by solution combustion method using Aloe vera gel extract as a green reducing agent. The as-formed samples are calcined at 600 °C for 3 h. Bragg reflections of CeO₂ confirms the formation of cubic fluorite structure. No such additional phases/diffraction peaks corresponding to the dopant are observed. The crystallite size calculated from Scherrer’s method varies from 20 to 10 nm respectively. The energy band gap was tuned from 2.2 eV to 3.5 eV . The optical nonlinearity of the specimens was studied using the open aperture Z-scan technique, revealing reverse saturable absorption attributed to a two-photon absorption process. The non linear nonlinear non-linear absorption coefficient of C, C–Ag, C–Cu, C–Co, C–Eu, and C–Zn were found to be 0.60, 0.74, 1.40, 1.25, 0.6,1, and 0.68 respectively. The optical limiting threshold were found to be 4.27, 3.09, 1.22, 1.55, 4.03, and 3.80 x 10¹² Wm⁻². A higher non-linear absorption coefficient and lower limiting threshold indicate better optical limiting action. A higher <span><math><mi>Δ</mi></math></span>E<span><math><msub><mrow></mrow><mrow><mi>U</mi></mrow></msub></math></span> enhances defect-mediated transitions, strengthening nonlinear absorption (<span><math><mi>β</mi></math></span>) and lowering the optical limiting threshold (OLT), though excessive <span><math><mi>Δ</mi></math></span>E<span><math><msub><mrow></mrow><mrow><mi>U</mi></mrow></msub></math></span> may introduce scattering losses. Optimizing the bandgap (<span><math><mi>Δ</mi></math></span>E<span><math><msub><mrow></mrow><mrow><mi>g</mi></mrow></msub></math></span>) through controlled doping facilitates multiphoton absorption, enhancing <span><math><mi>β</mi></math></span> and minimizing OLT for advanced NLO applications. Urbach energy analysis reveals tunable structural properties in CeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>-based materials, with CeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>-Zn exhibiting the lowest Urbach energy (0.28858 eV), reflecting high crystallinity. In contrast, CeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>-Ag and CeO<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>-Cu show higher values (5.19454 eV and 3.76634 eV), suggesting significant structural disorder and potential for enhanced NLO(non-linear optics) performance. Overall, the C–Cu sample emerges as an ideal material for fabricating optical limiters designed for green lasers.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417226"},"PeriodicalIF":2.8,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing blue light emission in Y2O3:Ce3+, Eu2+ through Ce3+→ Eu2+ energy transfer","authors":"M. Dutta,&nbsp;J.M. Kalita,&nbsp;G. Wary","doi":"10.1016/j.physb.2025.417277","DOIUrl":"10.1016/j.physb.2025.417277","url":null,"abstract":"<div><div>The blue emitting phosphors have numerous scopes in solid-state lighting applications. We synthesised a set of blue emitting Y₂O₃ phosphors co-doped with 1 mol% Ce³⁺ and 1, 2, 3, 4 mol% Eu²⁺. An X-ray diffraction study revealed that the samples have a cubic crystal structure. The 1 mol% Ce doped sample produced a strong absorption band at ∼206 nm. This absorption band was found to red-shift after co-doping with Eu ions. Under 300 nm ultraviolet excitation, the Eu²⁺-Ce³⁺ co-doped phosphors exhibited characteristic blue luminescence corresponding to transitions from the lowest Ce³⁺ 5d excited state to ²F₇/₂ and ²F₅/₂ 4f ground state levels. In addition, the blue emission is also ascribed to the inter-configurational 4f⁶5 d¹ – 4f⁷ allowed transition of Eu²⁺ ions. The photoluminescence spectra, luminescence decay curves and energy transfer efficiency all indicated a possible energy transfer from Ce³⁺ <strong>→</strong> Eu²⁺ ions.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417277"},"PeriodicalIF":2.8,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Polarization effect on the Auger recombination coefficient in single InGaN/GaN quantum wells","authors":"V.S. Slipokurov ,&nbsp;A.V. Zinovchuk","doi":"10.1016/j.physb.2025.417278","DOIUrl":"10.1016/j.physb.2025.417278","url":null,"abstract":"<div><div>We investigate the effect of polarization on the direct Auger recombination rate in In_xGa_1-xN/GaN single quantum wells by full Brillouin zone calculations within the framework of the empirical pseudopotential linear combination of bulk bands method for the electronic structure description. It is compared the Auger coefficients as a function of alloy composition for realistic and artificial polarization-free quantum wells. The results reveal that the polarization fields strongly enhance the Auger recombination rate for the alloy compositions <em>x</em> &lt; 0.4 while for highly alloyed quantum wells (<em>x</em> &gt; 0.5) the effect of polarization is weak. Unlike the bulk case, the calculated Auger recombination coefficient in the quantum wells corresponding to the visible spectrum optical transition energies demonstrates a weak compositional dependence with a trend to decrease from 2.7 × 10⁻¹⁸ cm⁴s⁻¹ (blue emitting quantum wells) to 2.5 × 10⁻¹⁹ cm⁴s⁻¹ (red emitting quantum wells).</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417278"},"PeriodicalIF":2.8,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865149","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigations on electronic structure and transport property modifications of La0.7Ca0.3-xKxMnO3 ceramics","authors":"Pratik Lakhani ,&nbsp;Paresh Sidhdhapura ,&nbsp;Mayur Vala ,&nbsp;Tanvi Dudhrejiya ,&nbsp;Nirali Udani ,&nbsp;Sandhya Dodia ,&nbsp;Gaurav Jadav ,&nbsp;Pankaj Solanki ,&nbsp;Dhananjay Dhruv ,&nbsp;Sergei A. Sharko ,&nbsp;J.H. Markna ,&nbsp;Bharat Kataria","doi":"10.1016/j.physb.2025.417279","DOIUrl":"10.1016/j.physb.2025.417279","url":null,"abstract":"<div><div>The partial substitution of monovalent alkali metal K⁺ at the divalent Ca²⁺ site in La_0.7Ca_0.3MnO₃ manganites (LCKMO) leads to remarkable structural, electronic, and magnetic modifications. This report combines structural, transport, magneto transport, and X-ray photoelectron spectroscopy (XPS) studies to examine these modifications in LCKMO samples with varying alkali metal content. X-ray diffraction (XRD) confirmed the orthorhombic crystal structure and single-phasic nature, while transport and magnetoresistance studies highlighted the effects of K⁺ substitution on the metal-insulator transition temperature (T_P) and resistivity. X-ray Photoelectron Spectra (XPS) analysis decodes the Mn³⁺/Mn⁴⁺ mixed-valence states, providing insights into the Jahn-Teller (JT) distortions and double-exchange (DE) mechanisms manipulating the observed magnetic behaviour. These findings highlight the carping interplay of structural and electronic modifications in tailoring the functional properties of manganites for potential technological applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417279"},"PeriodicalIF":2.8,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143860733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Observation of exchange bias properties in Lu substituted BiFeO3","authors":"K. Krishna Rao,&nbsp;T. Durga Rao,&nbsp;K. Naga Raju,&nbsp;B. Sattibabu","doi":"10.1016/j.physb.2025.417263","DOIUrl":"10.1016/j.physb.2025.417263","url":null,"abstract":"<div><div>Bi_1-xLu_xFeO₃, x = 0.00, 0.03, 0.05 and 0.07 compounds were synthesized using the solid-state reaction method. Room temperature structural analysis was carried out for the prepared compounds through Rietveld refinement. The studies showed that the compounds were stabilized in a rhombohedral <em>R</em>3<em>c</em> structure at room temperature. UV–visible spectroscopy measurements revealed a slight widening in the optical band gap, from 2.03 eV to 2.08 eV, with the increase in x. The magnetic measurements indicated that remanent magnetization and coercive fields increased with the increase in the Lu substitution. Interestingly, the substituted compounds exhibited exchange bias properties under zero field cooled conditions. Polarization measurements indicated better ferroelectric polarization hysteresis loops observed in the compounds with higher Lu substitution. Impedance measurements demonstrated an improved insulating behaviour with Lu substitution. The grain and grain boundary resistances were extracted using a two-parallel RC circuit model. Additionally, the materials exhibited a negative temperature coefficient of resistance, as was evidenced by the <em>ac</em> conductivity measurements in all the prepared compounds.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417263"},"PeriodicalIF":2.8,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational insights into structural, elastic, optoelectronic, and thermodynamic properties of silver-based germanium ternary halide perovskites","authors":"Izzat Khan ,&nbsp;Amir Ullah ,&nbsp;Nasir Rahman ,&nbsp;Mudasser Husain ,&nbsp;Hind Albalawi ,&nbsp;Amani H. Alfaifi ,&nbsp;Khamael M. Abualnaja ,&nbsp;Wafa Mohammed Almalki ,&nbsp;Vineet Tirth ,&nbsp;Ahmed Azzouz-Rached ,&nbsp;Mohammad Sohail","doi":"10.1016/j.physb.2025.417265","DOIUrl":"10.1016/j.physb.2025.417265","url":null,"abstract":"<div><div>This study explores the characteristics of AgGeX₃ (X = Cl and F) using density functional theory (DFT), examining their structural, electronical, optical, elastic, thermal properties, and phonon modes. Both compounds have a perovskite-like crystal structure, with AgGeCl₃ having a wider lattice constant (5.17 Å) than AgGeF₃ (4.36 Å). AgGeCl₃ has an indirect band gap of 0.553 eV, suitable for wide-range light absorption in optoelectronics, whereas AgGeF₃ possesses a larger band gap. AgGeF₃ exhibits a higher bulk modulus 53.26 GPa than AgGeCl₃ 28.91 GPa, implying greater resistance to deformation. Optical properties shows that AgGeCl₃ have high absorption coefficient, optical conductivity, refractivity, and reflectivity which make it suitable to absorb light in visible range while AgGeF₃ in UV range. By analyzing their thermal properties, AgGeF₃ shows higher heat absorption (157.7 J/mol·K) and resistance to temperature changes (480 K at 20 GPa), while expanding less (6 × 10⁻⁵ K⁻¹ at 0 GPa) and shrinking less under pressure. This makes it more stable under heat. In contrast, AgGeCl₃ expands more (24 × 10⁻⁵ K⁻¹ at 0 GPa) and resists temperature changes less (450 K at 20 GPa). These differences suggest AgGeF₃ is better for applications with high pressure and sensitive temperature requirements, while AgGeCl₃ is better for tasks like converting heat to electricity, creating electricity from light, and making electronics that can bend.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417265"},"PeriodicalIF":2.8,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143868423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of nanocurcumin conjugated titanium dioxide bio-nanocomposites for enhanced optical, electrical, and antibacterial applications","authors":"P. Anju ,&nbsp;Hiba Muhammed ,&nbsp;K. Arun ,&nbsp;B.K. Bahuleyan ,&nbsp;M.T. Ramesan","doi":"10.1016/j.physb.2025.417269","DOIUrl":"10.1016/j.physb.2025.417269","url":null,"abstract":"<div><div>This study explores the synthesis of nanocurcumin (NCur) and its impact on the structural, electrical, and antibacterial properties of titanium dioxide (TiO₂) through a simple solvent-free mechanical mixing. FTIR confirmed NC-TiO₂ interactions, while UV–Vis spectroscopy showed a red shift and a reduced bandgap from 3.571 eV to 2.550 eV. XRD verified the crystalline retention of TiO₂. Morphological analysis using optical microscopy and FE-SEM showed uniform NCur dispersion in TiO₂ up to 6 wt%, beyond which agglomeration occurred. Electrical impedance studies demonstrated a 1.127-fold increase in conductivity at 100 Hz and a reduction in activation energy from 5.37 × 10⁻⁵eV to 5.00 × 10⁻⁵ at 6 wt% NCur. Additionally, the dielectric constant increased by 29 %, enhancing the material's energy storage potential. Antibacterial assays indicated that TiO₂/NCur bio-nanocomposites exhibited significant antibacterial activity against <em>E. coli</em>, increasing efficacy by 183.33 %. These multifunctional properties make TiO₂/NCur composites highly promising for applications in biosafe electronics, energy storage, and antibacterial technologies.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"711 ","pages":"Article 417269"},"PeriodicalIF":2.8,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}