Materials Science and Engineering: B最新文献

{"title":"Electrochromic behaviour by lithiation process of nanocomposites based on WO3 nanofibers / electrochemically reduced TiO2","authors":"Vasilica Mihaela Mîndroiu ,&nbsp;Cristina Dumitriu ,&nbsp;Marius Bumbac ,&nbsp;Cristina Mihaela Nicolescu","doi":"10.1016/j.mseb.2025.118302","DOIUrl":"10.1016/j.mseb.2025.118302","url":null,"abstract":"<div><div>A new WO₃NF/TiO₂R electrochromic nanocomposite was synthesized on FTO substrate using a dip-coating technique combined with an electrochemical reduction treatment to induce defects in the reduced TiO₂ lattice (TiO₂R), followed by electrospinning deposition of WO₃ nanofibers (WO₃NF). The parameters used for electrospinning WO₃NF and the electrochemical reduction treatment applied to the TiO₂ layer affected the structural, optical, band gap and Urbach energy value, intrinsic defects, and electrochromic features of the resulting nanocomposite film. The electrochromic properties of the WO₃NF/TiO₂R nanocomposite in a Li⁺ electrolyte exhibited a colouration efficiency of 161.84 cm² C^–1, an optical modulation (ΔT) of 75.41 %, a reversibility of 61.31 %, and rapid response times of 3.5 s for colouration and 4 s for bleaching. The structure of the interconnected nanocomposite makes more places for redox reactions and speeds up charge transport. The WO₃NF/TiO₂R/FTO electrode had good capacitive behaviour, low charge resistance, and good durability for 1000 voltammetry cycles.</div><div>.The structure of the interconnected nanocomposite provides more sites for redox reactions and speeds up charge transport. The WO3NF/TiO2R/FTO electrode had good capacitive behaviour, low charge resistance, and good durability for 1000 voltammetry cycles.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118302"},"PeriodicalIF":3.9,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906691","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":"Oxygen vacancy-rich Z-scheme g-C3N4/BiOBr heterojunction with enhanced visible-light photocatalytic activity for pollutants degradation","authors":"Yunping Kang ,&nbsp;Xudong Leng ,&nbsp;Xuekun Jin ,&nbsp;Fengjuan Chen ,&nbsp;Haiming Duan ,&nbsp;Biaobing Cao","doi":"10.1016/j.mseb.2025.118341","DOIUrl":"10.1016/j.mseb.2025.118341","url":null,"abstract":"<div><div>The g-C₃N₄/BiOBr photocatalysts riched with oxygen vacancy (g-C₃N₄/VoBiOBr) were constructed using a solvothermal method assisted by polyvinylpyrrolidone. The activity of g-C₃N₄/VoBiOBr was further explored by degrading Rhodamine B (RhB) and Congo red under light-emitting diode (LED) light. The g-C₃N₄/VoBiOBr (15 wt%) photocatalyst exhibited the highest photocatalytic degradation efficiency. Within 30 min of irradiation, the degradation rates of RhB and Congo red reached 93 % and 91 %, respectively. This was because the fact that oxygen vacancy is helpful to fast transfer of carriers, and further enhance reaction rates. Meanwhile, the heterojunction can also improve the separation efficiency. Hence, the synergistic effect of oxygen vacancy and the heterojunction can further improve the catalytic activity of BiOBr. The photocatalytic mechanism of Z-scheme heterojunctions was proposed on the basis of experiments and DFT theoretic calculations. This study provides valuable insights into the design of Z-scheme heterojunction photocatalysts for pollutant degradation.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118341"},"PeriodicalIF":3.9,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906693","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":"Computational study of mixed halide perovskites CsSnX3 (X = Br, Cl, mixed halides) for optoelectronic and thermoelectric applications: A DFT and Boltzmann transport methods","authors":"Y. Selmani,&nbsp;L. Bahmad","doi":"10.1016/j.mseb.2025.118373","DOIUrl":"10.1016/j.mseb.2025.118373","url":null,"abstract":"<div><div>Density Functional Theory (DFT) is a powerful tool in materials science, widely used to predict key properties such as mechanical, electronic, optical, and thermoelectric characteristics. This study employs DFT method with both the Generalized Gradient Approximation (GGA-PBE) and the Hybrid Functional (HSE) approaches to explore the potential of CsSnBr_3-xCl_x mixed halide perovskites for photovoltaic and thermoelectric applications. The structural analysis indicates that CsSnBr₃ and CsSnCl₃ crystallize in a cubic phase with the Pm-3 m space group, whereas the mixed halide compounds CsSnBr₂Cl and CsSnCl₂Br adopt a tetragonal structure belonging to the P4/mmm space group. The negative formation energy values confirm the thermodynamic stability of these materials. Mechanical property evaluations indicate that the materials are mechanically stable and ductile, with bonding predominantly ionic in nature. Furthermore, electronic band structure calculations show that all compounds exhibit p-type semiconducting behavior with direct band gaps. Notably, the HSE approach provides more accurate electronic properties compared to the GGA-PBE approximation, with band gap values of 1.22 eV, 1.41 eV, 1.50 eV, and 1.62 eV for CsSnBr₃, CsSnBr₂Cl, CsSnCl₂Br, and CsSnCl₃, respectively. Optical properties, including dielectric function, absorption, refractive index, optical loss, and reflectivity, were analyzed across the 0–10 eV energy range, highlighting significant absorption in the visible and ultraviolet regions, crucial for solar cell applications. Thermoelectric performance was assessed using the figure of merit (ZT), considering the Seebeck coefficient, thermal conductivity, and electrical conductivity. At 1000 K, CsSnBr₃, CsSnBr₂Cl, CsSnCl₂Br, and CsSnCl₃ show ZT values of 0.46, 0.47, 0.48, and 0.52, respectively, indicating improved thermoelectric efficiency with increasing Cl content. These findings suggest that CsSnBr₂Cl, CsSnCl₂Br, and CsSnCl₃ are promising materials for high-temperature thermoelectric applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118373"},"PeriodicalIF":3.9,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898722","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":"Effective promotion of oxygen reduction reaction by bismuth doping in PrBaCo2-xBixO5+δ cathodes for solid oxide fuel cell","authors":"Yanshen Shao ,&nbsp;Ning Sun ,&nbsp;Hao Sun ,&nbsp;Ao Zhao ,&nbsp;Fangjun Jin","doi":"10.1016/j.mseb.2025.118384","DOIUrl":"10.1016/j.mseb.2025.118384","url":null,"abstract":"<div><div>The development of cathodes that exhibit both high electrochemical performance and CO₂ tolerance represents a critical focus in the field of solid oxide fuel cells (SOFCs). This study presents the detailed synthesis of novel PrBaCo_2-<em>_x</em>Bi<em>_x</em>O₅₊<em>_δ</em> materials via a sol–gel method. The cathode with <em>x</em>  = 0.05 exhibited a tetragonal perovskite structure belonging to the P4/mmm space group. A Bi³⁺ dopant significantly improves the conductivity, electrochemical properties, and durability of PrBaCo₂O₅₊<em>_δ</em>. The area-specific resistance of the cathode at <em>x</em>  = 0.05 was measured to be 0.082 Ω cm² at 700 °C. Furthermore, when hydrogen (H₂) was utilized as the fuel and <em>x</em>  = 0.05 as a cathode, the peak power density of a single cell achieved 1340 mW cm⁻² at 800 °C. Single cell employing <em>x</em>  = 0.05 as a cathode material in SOFCs exhibit superior power density and long-term stability, making them a highly promising candidate for SOFC cathode applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118384"},"PeriodicalIF":3.9,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143902557","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 ceria and ytterbia on the structure and properties of solid electrolytes based on scandia-stabilized zirconia","authors":"D.A. Agarkov ,&nbsp;M.A. Borik ,&nbsp;A.S. Chislov ,&nbsp;D.S. Katrich ,&nbsp;A.V. Kulebyakin ,&nbsp;B.E. Komarov ,&nbsp;I.E. Kuritsyna ,&nbsp;E.E. Lomonova ,&nbsp;F.O. Milovich ,&nbsp;V.A. Myzina ,&nbsp;N.Y. Tabachkova ,&nbsp;D.M. Zakharov","doi":"10.1016/j.mseb.2025.118385","DOIUrl":"10.1016/j.mseb.2025.118385","url":null,"abstract":"<div><div>Crystals of ceria and ytterbia doped scandia-stabilized zirconia (ZrO₂)_1-<em>_x-y-z</em>(Sc₂O₃)<em>_x</em> (Yb₂O₃)<em>_y</em>(CeO₂)<em>_z</em> (<em>x</em> = 0.09;0.095, <em>y</em> = 0–0.02; <em>z</em> = 0;0.005) were grown using method of directional melt crystallization. Structure and phase composition of the crystals were studied using XRD and Raman spectroscopy, depending on their chemical composition and annealing at 1000 °C for 400 h. The conductivity was measured using impedance spectroscopy over the temperature range of 400–900 °C. At a Yb₂O₃ content of ≥ 1 mol.%, the crystals were single-phase and had a cubic fluorite structure. The conductivity of these crystals decreased slightly as the concentration of Yb₂O₃ increased to 2 mol.%. The addition of ceria to single-phase crystals, as well as prolonged annealing, did not have a noticeable effect on their structure or transport properties. The most significant changes in the structure and transport properties caused by the addition of ceria and annealing were observed in the two-phase crystals formed with a Yb₂O₃ concentration of less than 1 mol.%.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118385"},"PeriodicalIF":3.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898721","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":"Effects of Graphene, CNT and TiB2 nanoparticles hybridization on morphological structure, dielectric and conductivity of ZnO semiconductors","authors":"Cevher Kürşat Macit ,&nbsp;Merve Horlu ,&nbsp;Hilal Çelik ,&nbsp;Fatih Biryan ,&nbsp;Bünyamin Aksakal","doi":"10.1016/j.mseb.2025.118381","DOIUrl":"10.1016/j.mseb.2025.118381","url":null,"abstract":"<div><div>In this study, graphene (Gr)-hybridized carbon nanotubes (CNTs) and titanium diboride (TiB₂) nanoparticles were synthesized via the sol–gel method to enhance the dielectric properties and electrical conductivity of zinc oxide (ZnO) semiconductors. The synthesized nanostructures were thoroughly characterized using Fourier Transform Infrared Spectroscopy (FT-IR), X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), Energy Dispersive X-ray Spectroscopy (EDX), and Raman spectroscopy. The structural influence of CNT and TiB₂ hybridization on ZnO, along with the dielectric and conductivity performance of the resulting nanocomposites, was investigated through impedance analysis. The results confirmed the successful synthesis of ZnO, CNT, TiB₂, and Gr nanoparticles. Moreover, the dielectric constant and electrical conductivity of the hybrid materials were significantly improved compared to those of pure ZnO nanoparticles. These uniquely engineered nanomaterials are considered promising candidates for applications in solar cells and photovoltaic systems.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118381"},"PeriodicalIF":3.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898720","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":"Preparation and performance of SiC coating on C/C composite","authors":"Tao Feng ,&nbsp;Chong Li ,&nbsp;Xingzhao Li ,&nbsp;Bingying Wang ,&nbsp;Enyang Liu","doi":"10.1016/j.mseb.2025.118354","DOIUrl":"10.1016/j.mseb.2025.118354","url":null,"abstract":"<div><div>C/C composite material has incomparable mechanical properties compared to other structural materials. It has great application potential in aerospace, nuclear energy, and civil high-tech fields. In this study, Si coatings were deposited on the surface of C/C composite materials using atmospheric plasma spraying with silicon powder as the precursor material. A solid-phase reaction was induced between the Si coating and the C/C substrate through heat treatment, forming a SiC-C/C composite layer. The effects of heat treatment temperature (1300 °C, 1450 °C, 1500 °C, 1550 °C, and 1600 °C) on the microstructure and oxidation resistance of the SiC-C/C composite layer were investigated. The formation mechanism of SiC was analyzed. The results show that the SiC transition layer exhibited the highest density after heat treatment at 1500 °C. The resulting SiC exhibited a morphology of irregular polygonal particles and demonstrated excellent oxidation resistance. The mass loss due to oxidation was limited to 2.12% after 10 h of exposure at 1500 °C.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118354"},"PeriodicalIF":3.9,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887676","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":"Tailoring the properties of ZrO2 through praseodymium doping: A combined DFT and experimental investigation","authors":"Maria Khalil ,&nbsp;Aneeqa Bashir ,&nbsp;Farman Ullah ,&nbsp;Shahid M. Ramay ,&nbsp;Murtaza Saleem","doi":"10.1016/j.mseb.2025.118374","DOIUrl":"10.1016/j.mseb.2025.118374","url":null,"abstract":"<div><div>Zirconium dioxide is known for its outstanding mechanical, thermal, and optical properties, making it suitable for various applications. The main objective of this work was to investigate the effects of Pr doping on various properties of ZrO₂, combining simulation and experimental methods. The simulations were carried out using density functional theory calculations, while thin films were fabricated through a chemically derived method for experimental analysis. The combination of these two methods allows for a comprehensive understanding that link theoretical predictions with experimental findings. The electronic properties revealed a reduction in the band gap upon doping which improves energy absorption. The thermoelectric properties showed enhanced performance, highlighting its potential for energy conversion applications. X-ray diffraction analysis confirmed the tetragonal phase. Optical investigations demonstrated notable changes in the absorption and refractive index with Pr doping. These findings provided a comprehensive understanding and highlighting its potential for advanced optoelectronic and thermoelectric applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118374"},"PeriodicalIF":3.9,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143891374","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":"Visible light active N, S-Carbon quantum dots@FeVO4 nanocomposite as a photodegradation mechanism for wastewater treatment","authors":"Muhammad Imran Yousaf ,&nbsp;Hafsa Mansha ,&nbsp;Umme Habiba ,&nbsp;Misbah Kiran ,&nbsp;Amjed Javid","doi":"10.1016/j.mseb.2025.118376","DOIUrl":"10.1016/j.mseb.2025.118376","url":null,"abstract":"<div><div>Environmental remediation involves various strategies, such as degradation and related techniques to reduce the risks posed by chemical and radiological contaminants to human health and ecosystems. The use of nanomaterials in remediation provides advantages including enhanced efficiency, cost-effectiveness, and rapid pollutant breakdown. In this study, an innovative photocatalyst based on Iron Vanadate and Nitrogen and Sulfur co-doped carbon quantum dots (FeVO₄/N, S-CQDs) was synthesized via a hydrothermal route using varying concentrations of N, S-CQDs. Structural characterization using X-ray diffraction (XRD) confirmed the formation of a pure anorthic phase of FeVO₄ after calcination at 300 °C for 180 min, with no impurity peaks and a crystallite size of 29 nm. Photocatalytic activity was evaluated using Methylene Orange (MO) as a model dye under visible-light irradiation (λ ≥ 400 nm). The sample with 0.05 wt% N, S-CQDs showed the highest degradation efficiency, achieving up to 99 % dye removal. UV–Vis spectroscopy revealed over 80 % MO degradation using a small amount of catalyst, with kinetic analysis indicating a pseudo-first-order reaction. SEM analysis demonstrated a reduction in particle size from 4 µm to 200 nm with N, S-CQD incorporation, while EDX confirmed elemental composition. The nanocomposite also showed high reusability with negligible loss in photocatalytic activity. These findings indicate that FeVO₄/N, S-CQDs nanocomposites are effective, stable, and promising materials for the treatment of organic contaminants in industrial wastewater.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118376"},"PeriodicalIF":3.9,"publicationDate":"2025-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887677","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 laser surface activation on the formation and corrosion properties of V/Zr-Based conversion coating on 6061 aluminum alloy","authors":"Jianzhong Li ,&nbsp;Mingshi Li ,&nbsp;Zhichun Cui ,&nbsp;Peidong Li","doi":"10.1016/j.mseb.2025.118371","DOIUrl":"10.1016/j.mseb.2025.118371","url":null,"abstract":"<div><div>This study investigates the effect of laser surface activation (LSA) parameters on the formation and corrosion resistance of Vanadium/Zirconium-based Conversion Coatings (V/ZrCC) on Aluminum Alloy (AA) 6061 aluminum alloy. LSA treatments were conducted at energy densities of 7.5, 10.0, and 12.5 J/cm² (100 kHz pulse frequency, 100 mm/s scanning speed), followed by V/ZrCC deposition in a conversion bath containing H₂ZrF₆, NaVO₃, NaNO₃, and NaF (pH 4, 35 °C, 3 min). Surface morphology, composition, and electrochemical properties were analyzed via scanning electron microscopy (SEM), X-ray diffractometry (XRD), and X-ray photoelectron spectroscopy (XPS), Tafel polarization, and Ac impedance (EIS). Results reveal that LSA promotes secondary oxidation, forming defect-rich oxide films (Al₂O₃, MgO, MgAl₂O₄) and inducing residual tensile stress (43.9–72.2 MPa), which enhances substrate electrochemical activity. At 10.0 J/cm², the V/ZrCC achieves optimal thickness with minimal microcracks, yielding superior corrosion resistance. Higher energy density (12.5 J/cm²) accelerates coating growth but introduces extensive cracks, degrading performance.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"319 ","pages":"Article 118371"},"PeriodicalIF":3.9,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882160","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}