Materials Science and Engineering: B最新文献

{"title":"Mechanical, optoelectronic, and transport characteristics of stable halide double perovskites K2TlSbY6 (Y = Cl, Br, and I): First principles approach","authors":"Ahmad Ayyaz ,&nbsp;Saqlain A. Dar ,&nbsp;Imed Boukhris ,&nbsp;Radhakrishnan Anbarasan ,&nbsp;Murefah mana Al-Anazy ,&nbsp;N. Sfina ,&nbsp;Q. Mahmood","doi":"10.1016/j.mseb.2025.118134","DOIUrl":"10.1016/j.mseb.2025.118134","url":null,"abstract":"<div><div>This article reported the mechanical attributes, thermodynamic properties, optoelectronic aspects, and transport characteristics of K₂TlSbY₆ (Y=Cl, Br, and I), for which first principles computation was employed. We have determined the crystal structure’s stability by utilizing the tolerance factor. Calculations of formation energy and ab initio molecular dynamics (AIMD) are being conducted to evaluate the thermal stability of the examined materials. Mechanical stability has been predicted by calculating the elastic constants. The elastic parameters have been governed to investigate the ductility, stiffness, and anisotropy to verify the suitability of these materials for long-term reliable and flexible devices. Thermodynamic features have been ascertained, encompassing acoustic wave velocities, Debye temperature, and melting point. The analysis of electronic characteristics revealed direct band gaps of 1.35 eV, 1.05 eV, and 0.89 eV, K₂TlSbCl_6, K₂TlSbBr_6, and K₂TlSbI₆, respectively. The band gap value is within the acceptable range of semiconductors suitable for solar cell applications. The calculated optical parameters between 0 and 6 eV suggest the appropriateness for solar cell applications. The carrier transport characteristics, power factor, as well as the Figure of merit (ZT) have been evaluated to assess the ability of K₂TlSbY₆ (Y=Cl, Br, and I) materials to convert thermal energy into useful electric power. Hence, this study’s detailed exploration of K₂TlSbY₆ perovskites provides theoretical evidence of suitability for solar cells and optoelectronic and thermoelectric devices.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118134"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444644","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":"Influence of chemical composition and mechanical strain on the ferroelectricity of freestanding Hf1-xZrxO2 membranes","authors":"Yue Guan,&nbsp;Xiaowei Wang,&nbsp;Fengbo Yan,&nbsp;Miao Meng,&nbsp;Shuai Ning,&nbsp;Feng Luo","doi":"10.1016/j.mseb.2025.118123","DOIUrl":"10.1016/j.mseb.2025.118123","url":null,"abstract":"<div><div>Freestanding Hf_1-<em>_x</em>Zr<em>_x</em>O₂ (HZO) membranes have received considerable attention for their potential in flexible electronics applications. The relaxation of substrate clamping usually results in the emergence of non-ferroelectric phases, which leads to a reduction in remanent polarization (<strong><em>P</em></strong>_r). In this study, by optimizing the chemical composition and appropriately increasing the Zr content (<em>x</em>), the ferroelectric properties are significantly enhanced, with a 10-nm-thick HZO membrane achieving a 2<strong><em>P</em></strong>_r of approximately 59 μC/cm². Furthermore, in situ morphological, structural and electrical measurements under uniaxial tensile strains are conducted on freestanding HZO membranes by using a custom-built stretching stage. At a strain as low as 0.05%, the ferroelectricity is slightly diminished, indicating a small degree of strain-induced phase transformations, although the external mechanical strain is largely mitigated by the formation of cracks. The mechanical damages to the membranes can gradually increase with cyclic strains (0.05%), eventually leading to complete membrane failure after just a few cycles. This suggests that the HZO membranes exhibit poor durability under mechanical stretching, even at such a low strain level (0.05%). Therefore, further research is required to improve the stretching stability of freestanding HZO membranes.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118123"},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143444643","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":"Microscopic modeling of polarization dynamics in leaky dielectrics: Insights into ferroelectric-like behavior","authors":"Igor Ricardo Filgueira e Silva ,&nbsp;Ovidiu Lipan ,&nbsp;Fabian Hartmann ,&nbsp;Sven Höfling ,&nbsp;Victor Lopez-Richard","doi":"10.1016/j.mseb.2025.118089","DOIUrl":"10.1016/j.mseb.2025.118089","url":null,"abstract":"<div><div>Based on a microscopic model of nonequilibrium carrier generation in a leaky dielectric, we analytically derive hysteresis loops for the dielectric response of non-polar, non-ferroelectric materials. We demonstrate how complex dielectric responses can emerge solely from the influence of transport processes that depend on energy levels, voltage polarity, and asymmetries in charge transfer rates. By combining Electrochemical Impedance Spectroscopy and voltammetry, we address critical questions related to the microscopic mechanisms in poorly conductive systems dominated by displacement currents. The impedance analysis, extended to higher-order harmonics, provides deeper insights into the dynamic behavior of dielectric materials, emphasizing the need to correlate impedance spectroscopy with dielectric spectroscopy for a thorough understanding of dipole relaxation and transport phenomena. Our approach provides a fully analytical framework that directly correlates microscopic charge dynamics with macroscopic dielectric responses, offering enhanced accuracy and predictive capability for systems dominated by displacement currents.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118089"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437837","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":"Binder free vanadium pentoxide by ammonium metavanadate for supercapacitor application","authors":"P.G. Pawar ,&nbsp;Bidhan Pandit ,&nbsp;Abdullah M. Al-Enizi ,&nbsp;S.H. Sutar ,&nbsp;H.M. Pathan ,&nbsp;S.H. Mujawar ,&nbsp;S.J. Pawar","doi":"10.1016/j.mseb.2025.118118","DOIUrl":"10.1016/j.mseb.2025.118118","url":null,"abstract":"<div><div>Vanadium pentoxide (V₂O₅) thin films were successfully synthesized as electrode materials for Supercapacitors using the spray pyrolysis technique. By Using ammonium metavanadate (NH₄VO₃) solution on glass and nickel foam (substrates) at three different substrate temperatures, 300-500 °C with an interval of 100 °C. V₂O₅ beats VO₂ and V₂O₃ in electrochemical performance due to its greater redox activity with multiple oxidation states, high theoretical capacitance, layered structure for fast ion diffusion, efficient pseudocapacitive behavior, and good electrochemical stability. The study investigated the influence of deposition parameters, including substrate temperatures, on the structural, morphological, and electrochemical properties of the resulting films. X-ray diffraction (XRD), confirms the formation of a polycrystalline orthorhombic V₂O₅ phase, while scanning electron microscopy (SEM) revealed a uniform, porous surface morphology ideal for charge storage. Galvanostatic charge–discharge (GCD) tests demonstrated a high specific capacitance of 491 Fg⁻¹ at 0.3 mA cm⁻² for a resultantsubstrate temperature of 400 °C. This result highlights the potential of V₂O₅ thin films prepared by spray pyrolysis as cost-effective and scalable electrode materials for high-performancesupercapacitors.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118118"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437840","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":"Study on structural, morphological, and spectral properties of LiMPO4:Eu3+, B3+ (M = Zn, Sr) phosphors and latent fingerprint applications","authors":"Mustafa İlhan ,&nbsp;Lütfiye Feray Güleryüz ,&nbsp;Mehmet İsmail Katı","doi":"10.1016/j.mseb.2025.118124","DOIUrl":"10.1016/j.mseb.2025.118124","url":null,"abstract":"<div><div>Boron influences the melting point, crystallization, and both the optical and structural characteristics of ceramic materials. The effect of boron on the structural, morphological, and spectral properties for LiMPO₄:<em>x</em>Eu³⁺, <em>y</em>B³⁺ (where M = Zn or Sr and <em>x</em> = 3 mol%, <em>y</em> = 0–100 mol%) phosphors was investigated using materials fabricated with the solid-state method. In XRD results, LiZnPO₄:Eu³⁺, B³⁺ series showed a single-phase structure up to 100 mol%, while LiSrPO₄:Eu³⁺, B³⁺ samples exhibited a low monoclinic phase at low concentrations. In SEM micrographs, the flux effect of boron caused growth in LiMPO₄:Eu³⁺, B³⁺ (M = Zn, Sr) grains sizes. As the B³⁺ concentration increases, PL emissions for both phosphor series increased up to 100 mol%, and the luminescence intensities increased over 8 times. Judd-Ofelt (JO) parameters (<em>Ω</em>₂, <em>Ω</em>₄) showed a slightly increasing trend for LiZnPO₄:Eu³⁺, B³⁺, whilst the change in <em>Ω</em>₂ and <em>Ω</em>₄ parameters was limited for LiSrPO₄:Eu³⁺, B³⁺ series. As the B³⁺ concentration increased, the observed lifetime (<em>τ</em>) of LiZnPO₄:Eu³⁺, B³⁺ with a bi-exponential decay decreased, whereas the <em>τ</em> lifetime for LiSrPO₄:Eu³⁺, B³⁺ with a mono exponential decay increased. The quantum efficiencies for LiSrPO₄:Eu³⁺, B³⁺ phosphors varied between 89.83 %–96.78 % and exhibited approximately twice the efficiency of LiZnPO₄:Eu³⁺, B³⁺. The usability of optimized LiMPO₄:<em>x</em>Eu³⁺, <em>y</em>B³⁺ (where M = Zn, Sr and <em>x</em> = 3 mol%, <em>y</em> = 100 mol%) phosphors was investigated for latent fingerprint applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118124"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437838","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":"Effect of buffer layer on electrical and photoelectric performance of amorphous Ga2O3 MOSFETs on SiO2/Si substrate","authors":"Shaoqing Wang ,&nbsp;Yan Zhao ,&nbsp;Feilong Jia ,&nbsp;Xiangtai Liu ,&nbsp;Lijun Li ,&nbsp;Qin Lu ,&nbsp;Zhan Wang ,&nbsp;Songang Peng","doi":"10.1016/j.mseb.2025.118104","DOIUrl":"10.1016/j.mseb.2025.118104","url":null,"abstract":"<div><div>In this paper, an enhanced back-gated Ga₂O₃ MOSFET on SiO₂/Si substrate with Al₂O₃ buffer layer was reported. Compared with the direct deposition of Ga₂O₃ films on substrate, the amorphous Ga₂O₃ film with buffer layer has a higher density (5.76 g/cm³) and a lower concentration of oxygen vacancies. The amorphous Ga₂O₃ MOSFET with the buffer layer has a higher mobility of 16.15 cm² V⁻¹ s⁻¹, lower subthreshold swing of 386.14 mV/decade and interface state density of 1.09 × 10¹² cm⁻² eV⁻¹. Although the device with buffer layer structures has a slightly lower responsivity and external quantum efficiency than that without buffer layer, it exhibits a much lower time constant and faster response speed. These results can be attributed to the reduction of trap density within the thin film and at the interface due to the introduction of the buffer layer. Our work also demonstrates the flexible and adjustable characteristics of the photoresponse parameters for three-terminal photodetectors.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118104"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437839","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":"Fabrication and characterization of hydroxyapatite substituted with Mg2+, Sr2+, and ampicillin for bone and antibacterial applications","authors":"Venkatachalam Murugesan ,&nbsp;Arulkumar Murugeasan ,&nbsp;Sivarasan Ganesan ,&nbsp;Sivakumar Murugesan ,&nbsp;Saurav Dixit ,&nbsp;Manju Vaiyapuri","doi":"10.1016/j.mseb.2025.118131","DOIUrl":"10.1016/j.mseb.2025.118131","url":null,"abstract":"<div><div>Hydroxyapatite (Ca₁₀(PO₄)₆(OH)₂) is the main mineral component of human bone and teeth. The present study highlights the development of a nano-hydroxyapatite (HAp@Mg/Sr/Amp) loaded with metal ions composite by employing the sol–gel method. The preliminary characterization of nanomaterials was accompanied using X-ray diffraction (XRD) and fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) and thermo-gravimetric analysis (TGA) confirmed the presence of essential elements and other properties. Anticancer study reveals that the synthesized nano-composite possesses significant cytotoxicity, apoptotic and cell migration inhibition properties against MG-63 cell. The nanomaterial exhibited significant antibacterial activity against all tested pathogens <em>Escherichia coli</em> (<em>E. coli</em>)<em>, Staphylococcus aureus</em> (<em>S. aureus</em>)<em>, Enterococcus faecalis</em> (<em>E. faecalis</em>) and <em>Pseudomonas aeruginosa</em> (<em>P. aeruginosa</em>) particularly at higher concentration compared with standard drug. Overall, the synthesized nanomaterial has potential applications in the field of orthopedic, by kill the bone cancer cells with nontoxic to normal cells and anti-microbial properties.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118131"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437896","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 water-dispersible silver nanoparticles based on green chemistry for inverted organic solar cells","authors":"Yuyi Bi ,&nbsp;Bin Tang ,&nbsp;Xiangyu Shen ,&nbsp;Chuanlong Cui ,&nbsp;Xiaoyuan Zhan ,&nbsp;Fuzhen Bi ,&nbsp;Xichang Bao","doi":"10.1016/j.mseb.2025.118088","DOIUrl":"10.1016/j.mseb.2025.118088","url":null,"abstract":"<div><div>For manufacturing printable large-area photovoltaic systems, the top electrode of solution-processed silver nanoparticles (AgNPs) is essential. To get high conductivity, AgNPs synthesized using common reducing and stabilizing agents typically require high temperature annealing process, which restricts their use in organic solar cells (OSCs). In this work, we develop a green synthesis method of water-dispersible AgNPs using gallic acid (GA) as both a reducing and stabilizing agent. Small and uniform in size, the synthesized AgNPs achieved a maximum conductivity of 2.5 × 10⁶ S m⁻¹ at a low temperature of 130 °C. The inverted OSCs were then fabricated utilizing the spray-coated technique with the synthesized AgNPs. According to the results, the AgNPs top electrode works with both fullerenes and non-fullerenes OSCs. Finally, the fabricated inverted OSCs exhibit comparable photovoltaic performance to evaporated silver electrodes, and a champion efficiency of 10.03 % is achieved for inverted non-fullerene OSCs based solution-processed AgNPs top electrode.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118088"},"PeriodicalIF":3.9,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437895","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":"Unveiling the optical and thermoelectric properties of topological AsO and SbO monolayers from the first principles study","authors":"Jigneshkumar B. Barot ,&nbsp;Elie A. Moujaes ,&nbsp;Sanjeev K. Gupta ,&nbsp;P.N. Gajjar","doi":"10.1016/j.mseb.2025.118092","DOIUrl":"10.1016/j.mseb.2025.118092","url":null,"abstract":"<div><div>This study presents a comprehensive first-principles analysis of the structural, electrical, optical, topological, and thermoelectric characteristics of oxygen-functionalized arsenene and antimonene employing density functional theory (DFT). Incorporating spin orbit coupling (SOC) at the Γ high symmetry point, AsO and SbO exhibit direct band gaps of 82 meV and 110 meV, respectively. The opening of these band gaps enhances their suitability for advanced high-performance nanoelectronic devices. Notably, both materials maintain the Dirac cone-like electronic structure indicating a transition to a topological insulator phase, characterized by the broken spatial inversion symmetry and a nontrivial topological invariant Z₂ = 1. The optical analysis reveals ultraviolet absorption and reflectivity within the infrared and ultraviolet regions. Furthermore, the thermoelectric properties of these monolayers are found to be predominantly isotropic, with high figure of merit (zT) values of 1.26 and 1.84 at 300 K for the AsO and SbO monolayers, respectively, under light electron doping. These findings highlight the exceptional optical and thermoelectric performance of oxygen-functionalized arsenene and antimonene, underscoring their significant promise for future applications in optoelectronic and thermoelectric technologies.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"315 ","pages":"Article 118092"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419668","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":"Nanostructured immiscible Sb-Si@C composite Anodes: Advancing cycling stability for Lithium-Ion batteries","authors":"Luo Liu ,&nbsp;Xiaoyi Liu ,&nbsp;Jian Tang ,&nbsp;Jichang Sun ,&nbsp;Penglun Zheng ,&nbsp;Xulin Yang ,&nbsp;Yun Zheng","doi":"10.1016/j.mseb.2025.118120","DOIUrl":"10.1016/j.mseb.2025.118120","url":null,"abstract":"<div><div>Antimony (Sb) and silicon (Si) are promising anode materials for lithium-ion batteries, offering high theoretical capacities. However, Si’s poor conductivity, slow lithium-ion diffusion, and large volume expansion limit its performance. This study introduces a nanostructured immiscible Sb/Si@C composite fabricated via a simple mechanical ball-milling method. The Sb and Si particles are uniformly dispersed within a graphite matrix, where Sb enhances conductivity and the carbon matrix buffers volume changes during lithiation and delithiation. The composite material shows a high specific capacity of 949.3 mAh/g at 0.5 A/g and retains 763.2 mAh/g after 100 cycles, with a capacity retention of 80.4 %. This Sb/Si@C composite demonstrates strong potential as an anode material for lithium-ion batteries, combining high energy density and excellent cycling stability.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"315 ","pages":"Article 118120"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430151","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}