Materials Science and Engineering: B最新文献

{"title":"Impact of radical scavengers on the industrial dye degradation efficiency of biogenic Zinc oxide nanoparticles synthesized using Turbinaria ornata extract","authors":"Jerlin G. ,&nbsp;Biny R. Wiston ,&nbsp;Ashok M.","doi":"10.1016/j.mseb.2025.118210","DOIUrl":"10.1016/j.mseb.2025.118210","url":null,"abstract":"<div><div>This study presents a green and eco-friendly approach for synthesizing ZnO nanoparticles using the marine macroalga <em>Turbinaria Ornata</em> (TO) as a capping agent, which demonstrates remarkable photocatalytic and electrochemical properties. The biogenic zno achieved an outstanding 88% degradation of Methylene blue (MB) dye under solar irradiation within 90 min, outperforming conventional ZnO catalysts. Reactive oxygen species, specifically hydroxyl radicals (·OH) and superoxide anions (O₂^–), were identified as key contributors to the degradation process, highlighting the material’s efficiency. Notably, the biogenic ZnO maintained high stability with 84% degradation after four cycles, showcasing excellent reusability for long-term applications. This work emphasizes the novelty and superiority of using marine-derived zno for photocatalytic applications, offering a sustainable, cost-effective solution for wastewater treatment and energy storage, with significant advantages compared to existing methods.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118210"},"PeriodicalIF":3.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642121","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":"Fe-HNT@PVP/PEI membranes for enhanced dye removal and water purification","authors":"Shanthi Kannivelan,&nbsp;Kalaivizhi Rajappan","doi":"10.1016/j.mseb.2025.118213","DOIUrl":"10.1016/j.mseb.2025.118213","url":null,"abstract":"<div><div>This study envisages the improvement in adsorption efficiency of polyetherimide (PEI) membranes by integrating Fe-doped halloysite nanotubes (Fe-HNTs) into polyvinylpyrrolidone (PVP)-modified PEI matrices for reducing water contamination caused by dyes, which are known for their harmful impact on aquatic life. Fe-HNTs were synthesized via the Co-precipitation method and incorporated into PEI/PVP membranes at 1 % and 2 % concentrations by utilizing a simple, non-destructive phase inversion technique. The modification of the PEI matrix by PVP/Fe-HNTs brought significant structural alterations, improved hydrophilicity, and morphological changes in the membranes. These changes were witnessed through techniques including Fourier Transform Infra-Red (FTIR), X-ray diffraction (XRD), X-ray Photoelectron Spectroscopy (XPS), contact angle measurements, Scanning Electron Microscopy (SEM), and Atomic Force Microscopy (AFM). The 2 %-Fe-HNTs@PVP/PEI membrane demonstrated superior adsorption capacity for methylene blue (MB) dye, with significantly enhanced removal efficiency compared to the unmodified PVP/PEI membrane. Kinetic studies revealed a fast adsorption rate, fitting with pseudo-first-order and Langmuir isotherm models. The membrane also exhibited excellent reusability, maintaining its efficacy over multiple cycles. In textile effluent treatment trials, the modified membrane achieved an impressive 85 % removal of dye pollutants within 300 min, underscoring its appropriateness for environmental remediation and purification of water.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118213"},"PeriodicalIF":3.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643843","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":"First-principle investigation of optoelectronic and thermoelectric properties in XYGe (X = Li, K) half-Heusler compounds at different exchange correlation functional","authors":"Dinesh Kumar ,&nbsp;Prakash Chand ,&nbsp;Lalit Mohan","doi":"10.1016/j.mseb.2025.118222","DOIUrl":"10.1016/j.mseb.2025.118222","url":null,"abstract":"<div><div>In this study, the structural, electronic, thermodynamic, elastic, optical, and thermoelectric properties of XYGe (X = Li, K) half-Heusler compounds are thoroughly investigated using generalized gradient approximation (GGA-PBE), local density approximation (LDA), Wu – Cohen (WC), and TB-mBJ exchange potentials. The density functional theory (DFT) inside the full potential − linearized augmented plane wave (FP-LAPW) approach encapsulated in Wien2k is used to investigate these properties. The band structure and DOS results confirm semiconducting nature of the compounds. The thermodynamic and elastic research findings show that the compounds are thermally and mechanically stable. The various optical properties are examined, and the results obtained indicate that the materials are a promising option for optoelectronic devices. The various thermoelectric properties are also investigated. The figure of merit (ZT) of 3.28 for KYGe under LDA approach and 3.34 for LiYGe under TB-mBJ approach were obtained at 300 K temperature.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118222"},"PeriodicalIF":3.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143642120","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":"Partial sulfurization enabled SO42- decorated NiFe2O4 for enhanced electrocatalytic urea oxidation","authors":"Jiang Liu,&nbsp;Xiulin Wu,&nbsp;Yinqiang Shu,&nbsp;Xinliang Yan,&nbsp;Xiujuan Sun","doi":"10.1016/j.mseb.2025.118228","DOIUrl":"10.1016/j.mseb.2025.118228","url":null,"abstract":"<div><div>Urea-assisted water splitting for hydrogen production is an emerging technology, but developing efficient urea oxidation reaction (UOR) electrocatalysts remains challenging. Hence, the nonmetallic anionic group SO₄^2- decorated NiFe₂O₄ (S_x-NiFe₂O₄) catalyst is cleverly designed via a facile one-pot co-precipitation process followed by a sulfurization strategy. The decoration with SO₄^2- not only increased the high-valent Ni content and active sites in the catalyst but also significantly improved its hydrophilicity and stability. With the optimal sulfurization amount, S_0.5-NiFe₂O₄ only 1.48 V is sufficient to achieve 100 mA cm⁻² and staggering mass activity of 5.6 A cm⁻² mg⁻¹ at 1.6 V. Strikingly, the overall urea electrolyzer with S_0.5-NiFe₂O₄ anode only requires 1.59 V to drive a current density of 50 mA cm⁻² and maintains stably for 100h at a current density of 10 mA cm⁻². Besides, this urea overall splitting system can be powered by a 1.5 V voltaic battery. This study provides a strategy for designing UOR catalysts with high catalytic performance from the aspect of taking advantage of nonmetallic anionic groups.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118228"},"PeriodicalIF":3.9,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143643844","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 nitrogen concentration on the growth of h-AlN thin films using RF-magnetron sputtering for microwave applications","authors":"Ethireddy Radhika ,&nbsp;Sunil Gone ,&nbsp;Samuel Talari ,&nbsp;KA Emmanuel ,&nbsp;Pamu Dobbidi","doi":"10.1016/j.mseb.2025.118226","DOIUrl":"10.1016/j.mseb.2025.118226","url":null,"abstract":"<div><div>This study is of significant importance as it investigates the impact of argon to nitrogen gas ratio on the electrical and dielectric properties of AlN thin films deposited using RF magnetron sputtering. The AlN thin films’ X-ray diffraction (XRD) pattern revealed a hexagonal structure and is complemented by Raman spectroscopy. XPS high-resolution spectra reveal Al-N ∼ 74.32 eV with 83.66 % and N-Al-O ∼ 398.4 eV with 58.52 % for the h-AlN thin film deposited with 25 % nitrogen. The optical bandgap of ∼6.07 eV with a refractive index of ∼2.1 is obtained. The average RMS roughness achieved is ∼0.7 nm. The lowest leakage current density achieved is (3.06 <span><math><mo>×</mo></math></span> 10⁻⁵ A/cm²). The optimal dielectric properties attained at microwave frequencies include <span><math><mrow><msub><mi>ε</mi><mi>r</mi></msub><mo>=</mo></mrow></math></span> 8.865, and <span><math><mrow><mi>tan</mi><mi>δ</mi></mrow></math></span> <span><math><mo>=</mo></math></span> 4.143 <span><math><mrow><mo>×</mo><msup><mrow><mn>10</mn></mrow><mrow><mo>-</mo><mn>3</mn></mrow></msup></mrow></math></span> at 10 GHz. Thus, the obtained AlN thin films with the optimal conditions are well suited for microwave and high-frequency applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118226"},"PeriodicalIF":3.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637651","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":"Exploring Mg2+ doped CoCr2O4 Nanoparticles: Eco-Friendly Pigments, radiation dosimeters and latent fingerprint visualization","authors":"I.S. Pruthviraj ,&nbsp;B.R. Radha Krushna ,&nbsp;S.C. Sharma ,&nbsp;K. Manjunatha ,&nbsp;Sheng Yun Wu ,&nbsp;Hsin-Hao Chiu ,&nbsp;Wei-Che Lo ,&nbsp;Liza Mohapatra ,&nbsp;K.P. Aravind ,&nbsp;Burnice Nalina Kumari ,&nbsp;H. Nagabhushana","doi":"10.1016/j.mseb.2025.118217","DOIUrl":"10.1016/j.mseb.2025.118217","url":null,"abstract":"<div><div>This research investigates the impact of Mg²⁺ doping in CoCr₂O₄ nanoparticles (NPs) to address the challenges of toxicity and cost of cobalts, targeting applications in green ceramic pigments and radiation dosimetry. Mg_xCo_1-xCr₂O₄ (x = 0.0, 0.05, 0.1, 0.15, 0.2 and 0.25) NPs are synthesized using a solution combustion method. Thermoluminescence (TL) studies conducted on these NPs under varying gamma (<em>γ</em>) radiation doses (1–100 Gy, Co-60 <em>γ-</em>source) revealed a proportional increase in TL peak intensity with dose, establishing a robust linear dose–response relationship. The TL glow curves exhibited three prominent peaks, primarily at ∼ 190 °C, 240 °C, and 335 °C, indicative of distinct trap levels in the NPs matrix. The primary peaks near 190 °C and 240 °C are dominant, with a minor secondary peak around 335 °C. Advanced analytical techniques, including Computerized Glow Curve Deconvolution (CGCD) and Chens Peak Shape Method (PSM), are utilized to extract activation energies and trapping parameters, confirming general order kinetics for the glow curves. Consistency in activation energy values across methods underscored the study reliability. These findings position Mg²⁺ doped CoCr₂O₄ NPs as promising materials for radiation dosimetry. Additionally, optimized Mg_0.15Co_0.85Cr₂O₄ NPs demonstrated efficient latent fingerprints (LFPs) detection on diverse surfaces using a simple powder application method. Further analysis of pore characteristics, such as count, positioning, dimensions, and spacing, is conducted. A <em>Python</em>-based mathematical model analyzed Level I–II ridge features, successfully deciphering details from single and overlapping fingerprints (FPs), offering valuable insights into structural patterns.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118217"},"PeriodicalIF":3.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637650","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":"Alloy coating from an ionic liquid on graphite filaments and knitted graphite fabrics for stretchable supercapacitor applications","authors":"Abdulcabbar Yavuz ,&nbsp;Hüseyin Faal","doi":"10.1016/j.mseb.2025.118227","DOIUrl":"10.1016/j.mseb.2025.118227","url":null,"abstract":"<div><div>The development of flexible and stretchable energy storage technologies has lagged behind advancements in flexible screens and sensors, despite their potential for wearable, biomedical, and portable devices. This study addresses this issue by knitting graphite filaments into a stretchable fabric, which is potentiostatically coated with a Mn-Cu alloy using an Ethaline Deep Eutectic Solvent composed solely cations and anions. The coated electrodes are tested in aqueous KOH, Na₂SO₄, and a mixture of the two electrolytes. Fourier-transform infrared spectroscopy and X-ray diffraction analyses confirmed the composition and structure of the electrodes. The Mn-Cu-coated graphite fabric demonstrates an areal capacitance of 9 F cm⁻² in the mixed electrolyte, highlighting its suitability for energy storage. Deposition conditions are shown to influence electrode performance by altering the material structure. This work establishes a promising approach to developing flexible and stretchable energy storage devices with broad surface coverage and enhanced functionality.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118227"},"PeriodicalIF":3.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637648","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":"A machine learning assisted designing and chemical space generation of benzophenone based organic semiconductors with low lying LUMO energies","authors":"Cihat Güleryüz ,&nbsp;Abrar U. Hassan ,&nbsp;Hasan Güleryüz ,&nbsp;Hussein A.K. Kyhoiesh ,&nbsp;Mohamed H.H. Mahmoud","doi":"10.1016/j.mseb.2025.118212","DOIUrl":"10.1016/j.mseb.2025.118212","url":null,"abstract":"<div><div>Current study presents a machine learning (<em>ML</em>) approach to design benzophenone-based organic chromophore with their lowest possible LUMO energy (<em>E_LUMO</em>). A dataset of their 1142 donors is collected from literature and their molecular descriptors are designed by using RDKit. Among various models, the Random Forest regression model produces accurate results to predict their <em>E_LUMO</em> values. Based on these predictions, their 5000 new donors are designed with their Synthetic Accessibility Likelihood Index (<em>SALI</em>) scores. Their <em>SHAP</em> value analysis reveals that their electro topological state indices are the most critical descriptors to lowering <em>E_LUMOs</em>. The top-performing donor are further extended with acceptors and their photovoltaic (<em>PV</em>) properties by density functional theory (DFT). Their results show their maximum open-circuit voltage (<em>V_oc</em>) of 2.30 V, a short-circuit current (<em>J_sc</em>) of 47.19 mA/cm², and a light-harvesting efficiency (LHE) of 93 %. This study demonstrates the potential of <em>ML</em> assisted design to design new organic chromophores.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118212"},"PeriodicalIF":3.9,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637649","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":"Electron-doping induced multiferroicity and superior transport properties of PbTiO3","authors":"Rafia Anar ,&nbsp;Usman Saeed ,&nbsp;Hafiz Tauqeer Ali ,&nbsp;S. Nazir","doi":"10.1016/j.mseb.2025.118209","DOIUrl":"10.1016/j.mseb.2025.118209","url":null,"abstract":"<div><div>Using <em>ab-initio</em> methods, 5<em>d</em>-transition metals (TM) = Re-/Os-/Ir-doping effects on the various aspects of the PbTiO<span><math><msub><mrow></mrow><mrow><mn>3</mn></mrow></msub></math></span> (PTO) perovskite oxide (PO) are studied. Our results revealed higher/lower electrical/thermal conductivity, resulting in a superior figure of merit of 0.79/0.75/0.79 in the pristine/Re-/Ir@Ti-doped structure at 300 K. A non-magnetic insulator state is found in the pristine one exhibits a high polarization (P) of 88 <span><math><mi>μ</mi></math></span>Ccm⁻². Conversely, the Re-/Os-/Ir@Ti-doped system becomes a ferromagnetic semiconductor holding an <span><math><msub><mrow><mi>E</mi></mrow><mrow><mi>g</mi></mrow></msub></math></span> of 0.358/0.447/0.643 eV with a total magnetic moment of 2.90/1.93/0.92 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> and partial spin moment of 1.43/1.05/0.49 <span><math><msub><mrow><mi>μ</mi></mrow><mrow><mi>B</mi></mrow></msub></math></span> having ＋ 4(5<span><math><msup><mrow><mi>d</mi></mrow><mrow><mn>3</mn></mrow></msup></math></span>)/＋ 4(5<span><math><msup><mrow><mi>d</mi></mrow><mrow><mn>4</mn></mrow></msup></math></span>)/＋ 4(5<span><math><msup><mrow><mi>d</mi></mrow><mrow><mn>5</mn></mrow></msup></math></span>) states. Notably, TM doping reduces octahedral distortions, leading to a decrease in P of 48/53/52 <span><math><mi>μ</mi></math></span>Ccm⁻² in the Re-/Os-/Ir@Ti-doped motif and Curie temperature of 220/195/177 K.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118209"},"PeriodicalIF":3.9,"publicationDate":"2025-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637652","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":"TaS2 as a p-type Ohmic contact for monolayer SnSe and its device performance from ab initio simulations","authors":"Arzoo Hassan ,&nbsp;Andleeb Mehmood ,&nbsp;Umer Younis ,&nbsp;Shehzad Ahmed ,&nbsp;Naeem Ullah ,&nbsp;Iltaf Muhammad ,&nbsp;Xiaoqing Tian","doi":"10.1016/j.mseb.2025.118197","DOIUrl":"10.1016/j.mseb.2025.118197","url":null,"abstract":"<div><div>Monolayer (ML) SnSe has received significant attention in electronics and optoelectronics due to its high efficiency in electrostatic gating, high carrier mobility, and chemical stability and has been synthesized in various ways. In this study, we employed ab initio simulations to assess the contact performance of a van der Waals heterojunction formed by 2H-TaS₂ and SnSe monolayers. Our findings indicate that positive charge carriers can move freely from TaS₂ to SnSe due to the absence of a Schottky barrier at the interface and the presence of upward band-bending. Moreover, unlike conventional metal contacts the intrinsic nature of both ML SnSe and TaS₂ remains unchanged in the heterostructure. We also report the enhanced optical response observed in TaS₂/SnSe heterostructure compared to the free-standing monolayers. Following the recent synthesis of 2H-TaS₂/SnS superlattices, this study proposes the potential synthesis of ML SnSe in contact with TaS₂ with enhanced understanding of their interface properties.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118197"},"PeriodicalIF":3.9,"publicationDate":"2025-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629099","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}