Journal of Physics and Chemistry of Solids最新文献

{"title":"Radiation-induced photoluminescence enhancement of zinc oxide and zinc oxide- polyvinyl alcohol nanocomposite: A green and controllable approach for tailor-made optoelectronics","authors":"Cosimo Ricci ,&nbsp;Elvira Maria Bauer ,&nbsp;Isabelle Lampre ,&nbsp;Christophe Humbert ,&nbsp;Hynd Remita ,&nbsp;Marilena Carbone","doi":"10.1016/j.jpcs.2025.112704","DOIUrl":"10.1016/j.jpcs.2025.112704","url":null,"abstract":"<div><div>The structural and optical properties of gamma-ray-irradiated ZnO and ZnO-PVA nanocomposites, synthesized via a one-pot method, were investigated. The samples were analyzed before and after irradiation at doses up to 26 kGy using UV–Vis spectroscopy, photoluminescence spectroscopy, scanning electron microscopy, transmission electron microscopy, X-ray diffraction, Fourier transform infrared spectroscopy, and surface frequency generation spectroscopy. X-ray diffraction confirmed the hexagonal wurtzite structure of ZnO, while electron microscopy revealed the embedment of 40 nm ZnO nanoparticles into the PVA matrix. Shifts and decreased ratio of the CH₂–CH₂ FT-IR vibrations at 1420 cm⁻¹ and combined CH₂–CH₂/CH₂–O–CH₂ stretching at 1143 cm⁻¹ indicated not only polymer matrix dislocation resulting from incorporation of ZnO nanoparticles in the PVA matrix but also cross-linking of the polymer chains upon irradiation. Surface frequency generation spectroscopy further confirmed PVA adherence and bonding to ZnO surfaces. Photoluminescence studies revealed significant changes in the energy and intensity of the near-band-edge emission of irradiated ZnO nanoparticles attributed to the annealing of surface defects. UV–Vis spectroscopy of ZnO-PVA showed a dose-dependent absorption increase at 280 nm, suggesting polymer cross-linking. Additionally, the intensity of the blue photoluminescent peak located around 445 nm increased with irradiation dose indicating dose-dependent enhancement of ZnO-PVA bonding. These findings demonstrate that gamma-ray irradiation effectively modifies the optical and surface properties of ZnO-based materials, enhancing their performance for applications in flexible optoelectronics, light-emitting devices, and environmental sensors. The ability to precisely control material properties through irradiation offers new opportunities for developing advanced functional materials with improved performance and sustainability.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112704"},"PeriodicalIF":4.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642964","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Na2ZnH6: A 53K conventional superconductor near ambient pressure","authors":"Manish Kumar,&nbsp;Finley Marak,&nbsp;Jagdish Kumar","doi":"10.1016/j.jpcs.2025.112702","DOIUrl":"10.1016/j.jpcs.2025.112702","url":null,"abstract":"<div><div>Ternary hydride Na₂ZnH₆ has been studied by employing density functional theory calculations. Our results find that Na₂ZnH₆ is dynamically stable but mechanically unstable at ambient pressure and exhibits strong electron-phonon coupling with <span><math><mrow><mi>λ</mi><mo>=</mo><mn>2.42</mn></mrow></math></span>. However, above 2.5 GPa pressure the crystal is mechanically as well as dynamically stable and exhibit strong electron-phonon coupling leading to significantly high <em>T</em>_<em>c</em> of ∼39K. The crystal is dynamically stable up to the isotropic pressure of 30 GPa. With increase in pressure, the electron-phonon coupling constant <span><math><mrow><mi>λ</mi></mrow></math></span> and electronic density of states at Fermi level, <em>N(E</em>_<em>F</em><em>)</em>, decreases monotonously. But due to the <em>anomalous</em> trend in <span><math><mrow><msub><mi>ω</mi><mi>log</mi></msub></mrow></math></span>, the transition temperature, <em>T</em>_<em>c,</em> increases to a maximum of ∼53K at 5 GPa, followed by a drop to a minimum of ∼19K at 10 GPa. The T_c increases further till the pressure of 30 GPa and attains a maximum value of 58K. At 40 GPa and above, Na₂ZnH₆ becomes dynamically unstable and exhibits imaginary phonon frequencies. Our investigations offer an important input to experimentalists to investigate this new ternary hydride having reasonably high T_c near ambient pressure.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112702"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642960","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":"Co-sputtering deposition of HfO2 thin films: Insights into Cu and Ag doping effects","authors":"Abdullah Akkaya ,&nbsp;Osman Kahveci ,&nbsp;Sedanur Güler ,&nbsp;Enise Ayyıldız","doi":"10.1016/j.jpcs.2025.112686","DOIUrl":"10.1016/j.jpcs.2025.112686","url":null,"abstract":"<div><div>This study comprehensively examines the structural, electrical, and electrochemical properties of Cu- and Ag-doped HfO₂ thin films deposited via the co-sputtering method. The dopant concentrations were precisely controlled by varying the DC magnetron sputtering power, allowing a systematic evaluation of their impact on film characteristics. Structural analysis revealed that the monoclinic phase of HfO₂ was retained, with minor crystallographic changes attributable to the dopants. Also, confirmed the successful incorporation of dopant ions, revealing variations in spin-orbital splitting values due to differences in ionic radii and electronic configurations. Morphological studies demonstrated that Ag doping reduced surface roughness and enhanced uniformity, whereas Cu doping increased roughness, resulting in a more irregular morphology.</div><div>TLM analysis highlighted improved conductivity in doped films, although the effect was limited by the oxidation states of dopants and the presence of oxygen vacancies. Electrochemical investigations through potentiodynamic polarization analysis revealed that Ag doping significantly improved corrosion resistance in alkaline environments, while Cu doping had the opposite effect, reducing corrosion resistance due to increased porosity and morphological irregularities. The results underscore the contrasting roles of Cu and Ag doping in modulating the functional properties of HfO₂ thin films, offering insights into their potential for applications in advanced electronic devices, resistive switching memory, and energy storage systems.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112686"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643449","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":"Nanoarchitectonics with highly porous, thick, stable anodic films on 304 stainless steel for high- performance supercapacitors","authors":"Xuanhe Wang ,&nbsp;Tao Feng ,&nbsp;Gang Li ,&nbsp;Yingge Wang ,&nbsp;Xuyuan Chen ,&nbsp;Kaiying Wang","doi":"10.1016/j.jpcs.2025.112690","DOIUrl":"10.1016/j.jpcs.2025.112690","url":null,"abstract":"<div><div>The nanoporous oxide layer formed on stainless steel (SS) foils through constant current anodization typically faces the challenge of partial detachment of the anodic film during prolonged anodization, which limits the significant increase in film thickness and thus restricts its specific surface area capacitance. In this study, we propose a method to prepare ultra-thick nanoporous oxide films through long-term constant voltage anodization, effectively mitigating the detachment effect. By adjusting the anodization voltage, the porosity, thickness, and conductivity of the oxide film can be precisely controlled. Specifically, the oxide film with a thickness of 26.9 μm shows a high porosity and low conductivity at 50 V. As the voltage increases to 75 V, the oxide exhibits a thicker thickness (32.2 μm), and the porosity decreases. Both oxide films exhibit a gradient distribution of pore size along the thickness direction, contributing to more stable contact between the anodic film and the substrate. The thinner oxide film achieves a record-breaking area capacitance value of 215 mF cm⁻² at 1 mA cm⁻². The stable anodic film, with its tunable porosity, thickness, and conductivity, has great potential for applications in high-performance supercapacitors based on stainless steel foils.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112690"},"PeriodicalIF":4.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627961","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":"Impact of diamond nanoparticles on the dielectric and electro-optical properties of nematic liquid crystal","authors":"Sadhna Tiwari,&nbsp;Saransh Saxena,&nbsp;Shivangi Tripathi,&nbsp;Sonam Sharma,&nbsp;Garima Shukla,&nbsp;Rajiv Manohar","doi":"10.1016/j.jpcs.2025.112696","DOIUrl":"10.1016/j.jpcs.2025.112696","url":null,"abstract":"<div><div>The study investigates the influence of diamond nanoparticles (DNPs) on the electro-optical and dielectric properties of nematic liquid crystal (NLC) ZLI-2976. DNPs were dispersed in varying concentrations (0.1 wt%, 0.3 wt%, and 0.5 wt%) to explore their impact on key parameters such as threshold voltage, dielectric anisotropy, and response time. The results revealed that DNPs significantly reduce the threshold voltage by up to 22 %, particularly at higher concentrations, while enhancing dielectric anisotropy and optimizing response time. Polarizing optical microscopy (POM) confirmed uniform nanoparticle dispersion, and dielectric spectroscopy highlighted concentration-dependent permittivity variations, with DNP-NLC interactions dominating at lower concentrations and DNP-DNP interactions influencing higher concentrations. These findings demonstrate the potential of DNP-doped NLCs for advanced liquid crystal device applications, offering improved performance in terms of reduced operating voltage, enhanced electro-optical response, and optimized switching dynamics.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"203 ","pages":"Article 112696"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143681499","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":"Engineering iron–nickel nanostructures on the surface of functionalized nitrogen-doped graphene composite for high-performance supercapacitors","authors":"Masoud Amiri ,&nbsp;Farhad Golmohammadi ,&nbsp;Ali Ebrahimi Pure ,&nbsp;Meysam Safari ,&nbsp;Muhamed Aydin Abbas","doi":"10.1016/j.jpcs.2025.112699","DOIUrl":"10.1016/j.jpcs.2025.112699","url":null,"abstract":"<div><div>This study presents the development of a novel three-dimensional nitrogen-doped graphene/iron-nickel (3DNG/FeNi) composite as a high-performance electrode material for supercapacitors. The composite was synthesized using a simple sol-gel method followed by pyrolysis, exhibiting excellent electrochemical properties. The 3D nitrogen-doped graphene scaffold (3DNG), synthesized with azodicarbonamide as a nitrogen source and a porosity enhancer, provides a highly porous and conductive framework for Fe–Ni nanoparticle integration. The synergistic interaction of 3DNG and Fe–Ni nanoparticles enhanced the overall electrochemical performance, including high specific capacitance, excellent rate capability and superior cycling stability. The as-prepared asymmetric supercapacitor device that utilizes the 3DNG/NiFe composite as the positive electrode and commercial Vulcan carbon as the negative electrode, demonstrates an impressive energy density of 35.4 Wh kg⁻¹ and a power density of 14 kW kg⁻¹. These results highlight the potential of the 3DNG/NiFe composite as a promising electrode material for advanced energy storage devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112699"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143632110","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":"Nickel and strontium-doped zinc oxide: A promising sorbent for methyl orange and methylene blue decolorization","authors":"B. Mohanavel ,&nbsp;K. Kesavan ,&nbsp;N. Siva Jyothi ,&nbsp;R. Shalini","doi":"10.1016/j.jpcs.2025.112694","DOIUrl":"10.1016/j.jpcs.2025.112694","url":null,"abstract":"<div><div>This study explores the enhanced photocatalytic activity of strontium (Sr) and nickel (Ni) co-doped zinc oxide (ZnO) films, synthesized using the spray pyrolysis method. By incorporating Sr and Ni into the ZnO matrix, the structural, optical, and photocatalytic properties of the films were systematically evaluated. Scanning electron microscopy and X-ray diffraction analyses confirmed the successful doping and uniform morphology of the films. The optical properties, accessed via UV–Vis spectroscopy, indicated a significant reduction in band gap energy due to the co-doping, which enhanced light absorption. Photocatalytic experiments demonstrated that the Sr, Ni co-doped ZnO films exhibited superior degradation rates for organic pollutants (Methyl orange (MO) - anionic, and Methylene blue (MB) – cationic) under sun light irradiation compared to undoped ZnO. These findings suggest that co-doping with Sr and Ni is a promising approach to enhance the photocatalytic performance of ZnO films, making them suitable for environmental remediation applications.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112694"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629410","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":"Modulating phonon-electron Fano resonance in Si nanoparticles through laser exposure and properties of surrounding nanoparticles","authors":"Nourhan Barakat ,&nbsp;Fouad El Haj Hassan ,&nbsp;Michel Kazan","doi":"10.1016/j.jpcs.2025.112700","DOIUrl":"10.1016/j.jpcs.2025.112700","url":null,"abstract":"<div><div>This study presents scalable and cost-effective methods for precisely modulating the phonon-electron Fano resonance in silicon (Si) nanoparticles, with potential applications in sensing, quantum technologies, and energy devices. Beyond conventional approaches reliant on laser intensity, we demonstrate that the Fano resonance can be enhanced by prolonged laser exposure, which increases electronic transitions to energy levels induced by band-edge disorder, and by strong electromagnetic field confinement achieved through multiple light scattering by non-absorbing surrounding particles. Conversely, the Fano resonance strength can be attenuated by introducing anharmonic decay channels for Si optical phonons, driven by anharmonic interactions between Si phonons and phonons of surrounding nanoparticles. These interactions disrupt the coherence essential for a strong Fano resonance, providing a controllable mechanism for weakening the effect. Experimental validation is achieved using Si nanoparticles embedded in granular media composed of zinc oxide (ZnO), monoclinic gallium oxide (β-Ga₂O₃), and graphite (C). By leveraging laser exposure, electromagnetic field confinement, and tailored nanoparticle environments, this work offers versatile and scalable strategies for advancing photonics, optoelectronics, thermoelectrics, and Raman-based sensing technologies.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112700"},"PeriodicalIF":4.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627962","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":"Experimental and DFT study of structural, optical and piezoelectric properties of perovskite SmTaO3 for optoelectronic applications","authors":"Abid Zaman ,&nbsp;Kakul Husain ,&nbsp;Salhah Hamed Alrefaee ,&nbsp;Muawya Elhadi ,&nbsp;Naila Mukhtar ,&nbsp;Samah Al-Qaisi ,&nbsp;Anvar Nurmuhammedov ,&nbsp;Naseem Akhter ,&nbsp;Vineet Tirth ,&nbsp;Ali Algahtani ,&nbsp;Amnah Mohammed Alsuhaibani ,&nbsp;Moamen S. Refat","doi":"10.1016/j.jpcs.2025.112695","DOIUrl":"10.1016/j.jpcs.2025.112695","url":null,"abstract":"<div><div>Perovskite materials have garnered significant attention due to their versatile structural, electronic, and functional properties, making them ideal candidates for a wide range of technological applications. In this study, we investigate the structural, mechanical, electronic, optical, and piezoelectric properties of SmTaO₃ perovskite using a combination of experimental techniques and first-principles calculations. X-ray diffraction analysis confirmed the orthorhombic perovskite structure with a Pbnm space group, supported by high crystallinity and minimal defect levels as indicated by dislocation density and strain analysis. Scanning electron microscopy revealed irregular grain morphology, while energy-dispersive X-ray spectroscopy validated the elemental purity of the sample. Besides, the formation energy is calculated to theoretically confirm the stability of SmTaO₃. The material's electronic structure demonstrated metallic behavior with overlapping valence and conduction bands at the Fermi level. Mechanical property analysis highlighted structural stability and moderate anisotropy, with optical studies revealing high UV reflectivity and absorption. Notably, the piezoelectric stress coefficients showed significant anisotropy, suggesting SmTaO₃'s potential for applications in sensors and energy harvesting devices. These findings establish SmTaO₃ as a promising material for optoelectronic devices.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112695"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620586","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":"Theoretical study of friction sensitivity of energetic materials","authors":"Hong-Yan Li ,&nbsp;Wei Zeng ,&nbsp;Fu-Sheng Liu ,&nbsp;Zheng-Tang Liu ,&nbsp;Zhi-Xin Bai ,&nbsp;Qi-Jun Liu","doi":"10.1016/j.jpcs.2025.112692","DOIUrl":"10.1016/j.jpcs.2025.112692","url":null,"abstract":"<div><div>The friction sensitivity of energetic materials is affected by many factors, so the prediction of friction sensitivity is always a very complicated problem. In this paper, the electronic and mechanical properties of energetic materials are calculated based on first-principles calculation. Through analysis, the parameter which has strong relationship with friction sensitivity of energetic materials are established, a satisfactory fitting correlation was achieved. This parameter shows that the experimental value of friction sensitivity of energetic materials has a positive correlation with band gap, Young's modulus and effective mass, and is inversely proportional to excess energy. That is, the wider the band gap, the greater the Young's modulus, the higher the effective mass of the carrier, and the smaller the excess energy, the lower the friction sensitivity of the energetic material in the system.</div></div>","PeriodicalId":16811,"journal":{"name":"Journal of Physics and Chemistry of Solids","volume":"202 ","pages":"Article 112692"},"PeriodicalIF":4.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620587","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}