Materials Science and Engineering: B最新文献

{"title":"R3c to P1 phase transition in Nd3+/Gd3+ co-doped BiFeO3 nanoparticles: Enhanced magnetic and photocatalytic properties","authors":"Sandeep Kumar Chauhan ,&nbsp;Amit Kumar ,&nbsp;Narendra Kumar Verma ,&nbsp;Paramananda Jena ,&nbsp;Bani Mahanti ,&nbsp;Sandeep Kumar Singh Patel","doi":"10.1016/j.mseb.2025.118170","DOIUrl":"10.1016/j.mseb.2025.118170","url":null,"abstract":"<div><div>We successfully synthesized pure and Nd³⁺/Gd³⁺ co-doped BiFeO₃ nanoparticles (NPs) via the sol–gel route. X-ray diffraction (XRD) and Raman spectroscopy studies indicates that co-doping at the Bi³⁺ sites triggered a structural phase transition from rhombohedral (<em>R3c</em>) to triclinic (<em>P1</em>). Also resulted in a decrease in particle size from 41 nm to 33 nm. XPS analysis confirmed successful Nd³⁺/Gd³⁺ co-doping in BiFeO₃ NPs and reveals the presence of Fe²⁺ ions. The optical band gap of doped NPs decreased significantly from 2.10 to 1.94 eV. Magnetization measurements revealed a significant enhancement in magnetization values under an applied field of 50 kOe, reaching 1.70 emu/g, a 300 % increase compared to pure BiFeO₃ due to the suppression of the spiral spin structure, suggests potential application for spintronics. Nd³⁺/Gd³⁺ co-doped BiFeO₃ NPs showed remarkable photocatalytic activity, degrading 99 % of methylene blue dye under sunlight irradiation in just 90 min as compared to BiFeO₃ NPs.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118170"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511971","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 anode structural designs on diffusion stress distribution in sodium-ion batteries","authors":"Longlong Chen,&nbsp;Kaiqi Hu,&nbsp;Bingbing Chen","doi":"10.1016/j.mseb.2025.118143","DOIUrl":"10.1016/j.mseb.2025.118143","url":null,"abstract":"<div><div>A temperature–pressure–electrochemical coupling model is developed using finite element simulations to analyze the distribution of diffusion stress in anode particles with different structures and sizes under low-temperature conditions, with NaVPO₄F–HC sodium-ion batteries used as a case study. Our calculations show that optimizing the structural design and size of anode particles can considerably lower von Mises stress at low temperatures. Of the three structures analyzed in this study, the yolk structure proved to be the most effective. This structure provides sufficient space for electrode particle expansion, thereby effectively reducing diffusion stress. Additionally, analysis of von Mises stress distribution in the yolk–shell structure across various low temperatures, revealed that the properties of the yolk structure remained largely stable at low temperatures. This research provides an effective method for determining optimal anode particle structures and sizes in sodium-ion batteries at low temperatures, supporting the development of sodium batteries with improved mechanical properties.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118143"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508746","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":"Enhancing flexible supercapacitor performance of an electrochemically polymerized polypyrrole/polyester felt fabric by incorporation of TiO2 nanoparticles","authors":"Shehab A. Mansour ,&nbsp;Mohamed A. Elfeshawy ,&nbsp;Ragab A. Elsad","doi":"10.1016/j.mseb.2025.118171","DOIUrl":"10.1016/j.mseb.2025.118171","url":null,"abstract":"<div><div>Electrochemical polymerization effectively deposits polypyrrole (PPy) onto activated carbon polyester felt fabric (ACPFF) to create a novel flexible supercapacitor electrode. TiO₂ nanoparticles were used in the electrochemical polymerization process to improve the supercapacitor performance of the electrode. Electrochemical experiments revealed that adding TiO₂ improved the electrochemical performance of ACPFF-PPy. The cyclic voltammetry studies revealed a considerable increase in specific capacitance at various scan rates and increased from 53.5F/g to 121F/g for ACPFF-PPy and ACPFF-PPy-TiO₂, respectively, at a scan rate of 5 mV/s.<!--> <!-->The capacitance obtained from galvanostatic charge–discharge measurements increased by 353 % at a current density of 1.5 A/g due to TiO₂ addition. The examined electrodes demonstrated good long-term cycling stability, with retentions of 81 % for ACPFF-PPy and 85 % for ACPFF-PPy-TiO₂ after 2400 cycles.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118171"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511968","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":"Evaluating the performance of metal-doped anthracene nanotubes for gas sensing applications","authors":"Mahmoud A.S. Sakr ,&nbsp;Ghada M Abdelrazek ,&nbsp;Hazem Abdelsalam ,&nbsp;Omar H. Abd-Elkader ,&nbsp;Vasil A. Saroka ,&nbsp;Qinfang Zhang","doi":"10.1016/j.mseb.2025.118160","DOIUrl":"10.1016/j.mseb.2025.118160","url":null,"abstract":"<div><div>This study investigates the structural, electronic, optical, and gas adsorption properties of transition metal (Cu, Ni, Fe) and alkali metal (Li, Mg) doped anthracene nanotubes (An-NT).Structural optimizations reveal significant changes in bond lengths and angles due to metal doping, with Fe-doped A6-NT showing the most stability (binding energy: 7.63 eV). Electronic analysis indicates that Cu and Li doping reduce the energy gap (E_g), enhancing conductivity in A6-NT (E_g = 0.513 eV) and A7-NT (E_g = 0.601 eV). Conversely, Fe, Ni, and Mg doping lead to wider energy gaps, indicating reduced conductivity. Optical properties reveal significant variations in the absorption spectra, correlating with the density of states (DOS) that shift upon doping, suggesting potential tunability for optoelectronic applications. Gas adsorption studies show enhanced interaction for CH₄ and CO₂, with Fe-doped A6-NT and A7-NT exhibiting the highest adsorption energies. This positions them as promising candidates for gas sensing and storage applications, showcasing the potential of metal-doped anthracene nanotubes in electronic devices and gas capture technologies.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118160"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508747","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":"Dielectric properties of YTaO4 electroceramic for microwave and radiofrequency applications","authors":"T.A. Magalhães ,&nbsp;J.S. Sarmento ,&nbsp;M.A.S. Silva ,&nbsp;A.S.B. Sombra ,&nbsp;V. Stascxak-Neto ,&nbsp;A.P. Ayala ,&nbsp;C.W.A. Paschoal ,&nbsp;P.B.A. Fechine","doi":"10.1016/j.mseb.2025.118169","DOIUrl":"10.1016/j.mseb.2025.118169","url":null,"abstract":"<div><div>This study invstigates the dielectric properties and potential applications of YTaO₄ electroceramic in microwave (MW) and radiofrequency (RF) devices. The monoclinic YTaO₄ phase (I12/a1) was synthesized via a solid-state reaction and confirmed by X-ray diffraction and Raman spectroscopy. The electroceramic exhibited moderate permittivity (<em>ε’</em> = 11.01), low loss tangent (tan <em>δ</em> = 9.53 × 10⁻⁴), and excellent thermal stability, as evidenced by a near-zero temperature coefficient of resonant frequency (<em>τ_f</em> = -18.69 ppm·°C⁻¹). To evaluate its performance in MW applications, dielectric resonator antennas (DRAs) were fabricated and tested, achieving a reflection coefficient (<em>S₁₁</em>) of −41.84 dB, bandwidth of 55 %, radiation efficiency of 99.45 %, and gain of 6.0 dBi. These results demonstrate YTaO₄′s potential as a thermally stable and efficient material for MW and RF applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118169"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508633","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":"Augmenting anisotropic gas sensitivity in Borophene/hBN van der Waals heterostructures via transition metal doping for advanced sensing applications","authors":"Jia-Xing Duan,&nbsp;Chao-Bo Wang,&nbsp;Yuping Tian,&nbsp;Lian-Lian Zhang","doi":"10.1016/j.mseb.2025.118129","DOIUrl":"10.1016/j.mseb.2025.118129","url":null,"abstract":"<div><div>This study used hexagonal boron nitride (hBN) as a substrate to construct a two-dimensional van der Waals heterostructure comprising borophene/hBN (B/hBN). Two types of borophene (B1, B2) are chosen to investigate their adsorption characteristics and sensing performance towards five harmful gases (CO, CO₂, NO, NO₂, SO₂). The results indicate that NO_X (X = 1,2) has strong chemical adsorption interactions with B1 and B2, while CO and SO₂ exhibited position-dependent chemisorption on B1. Conversely, CO₂ adsorption on B1 and CO_X/SO₂ (X = 1,2) adsorption on B2 were characterized as physisorption. Transition metal doping (Cr, Mn, Fe, Co, Ni, Cu) into the B/hBN structure enhances the interaction between the system and gas molecules. Interestingly, V doping induces the breaking of one N-O bond in NO2, producing an O atom. Next, the sensing characteristics of B/hBN heterostructures were mainly studied by applying bias voltage, and it was found that they have high sensitivity at low concentrations. Therefore, B/hBN heterostructures can be considered as promising candidate materials tailored for two-dimensional gas sensors.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118129"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508741","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":"Semiconductive PbI2-doped poly(dopamine–co–aniline) copolymer: Spectroscopic properties, band gap energy and crystallinity","authors":"Merve Hercan Mammad ,&nbsp;Mustafa Gülfen ,&nbsp;Uğursoy Olgun ,&nbsp;Abdil Özdemir","doi":"10.1016/j.mseb.2025.118165","DOIUrl":"10.1016/j.mseb.2025.118165","url":null,"abstract":"<div><div>In this research, the effects of PbI₂ doping on the properties of the poly(dopamine-co-aniline) (pDa-An) copolymer have been investigated. The doped and undoped pDa-An copolymer samples were characterized using FT-IR, UV–<em>vis.</em> absorption, optical band gap energy (<em>E_g</em>), FL emission spectroscopy, SEM-EDS, XRD, XPS, and electrical conductivity measurements. Notably, the PbI₂ doping at pH 4 significantly enhanced the light absorption capability of the copolymer. The optical band gap energies (<em>E_g</em>) were calculated and the presence of PbI₂ reduced the <em>E_g</em> values of the copolymer. From the FL emission quenching measurements, the binding equilibrium constant, <em>K_a</em>, of PbI₂ to the copolymer was calculated to be 3.02 × 10⁷ M⁻¹. The XRD measurements indicated that the PbI₂-doped copolymer, when prepared under acidic conditions, exhibited high crystallinity. The doped and undoped pDa-An copolymer showed electrical conductivity on the order of 10⁻⁵ S/cm. The PbI₂-doped pDa-An copolymer is a promising candidate material for the applications in solar cells, electrochemical devices, and fluorescence-based technologies due to its semiconductivity, enhanced light absorption, reduced band gap energy and high crystallinity.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118165"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508745","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":"The effect of surface texture components on the contact electrification of triboelectric materials: A theoretical study","authors":"Osvalds Verners ,&nbsp;Andris Šutka ,&nbsp;Injamamul Arief ,&nbsp;Amit Das ,&nbsp;Kaspars Mālnieks ,&nbsp;Jānis Lungevičs","doi":"10.1016/j.mseb.2025.118140","DOIUrl":"10.1016/j.mseb.2025.118140","url":null,"abstract":"<div><div>Textures of contact surfaces have been investigated widely on an experimental scale to improve the power performance of triboelectric devices. To investigate the implications that textured triboelectric surfaces would impose under conditions of small deformations in particular, a parametric texture model-based computational study was performed to elucidate the points above. the results allowed for an explanation with the help of local equivalent models of flat contact surfaces and effective minimum distance of separation in particular, based on which the underlying characteristics of the observed differences in power performance could be interpreted. Further, the results indicate that the dependence of triboelectric charges on both contact pressure and tangential displacements should be considered to characterize the texture effect correctly.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"317 ","pages":"Article 118140"},"PeriodicalIF":3.9,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508740","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 and characterization of magneto-optical bifunctional Fe3O4/Gd2O3:Tb3+@SiOx nanocomposites for enhanced MR imaging","authors":"Wuxiong Chen ,&nbsp;Hao Zhou ,&nbsp;Meigui Ou ,&nbsp;Jiarong Zhang ,&nbsp;Chunlin Yang","doi":"10.1016/j.mseb.2025.118162","DOIUrl":"10.1016/j.mseb.2025.118162","url":null,"abstract":"<div><div>Gadolinium- and iron-based contrast agents (CA) have historically been the most commonly utilized MR imaging CA. However, the potential toxicity of metallic substances presents an obvious drawback. In this paper, magneto-optical bifunctional Fe₃O₄/Gd₂O₃:Tb³⁺@SiOx nanocomposites were synthesized via co-precipitation and polyol method. The biocompatibility and dispersibility of Fe₃O₄/Gd₂O₃:Tb³⁺ were improved by covering the outer side with a layer of SiOx. The effects of various synthesis temperatures on the properties of the composites were investigated. It was found that with the increase of synthesis temperature, the average particle size of Fe₃O₄/Gd₂O₃:Tb³⁺@SiOx crystal increased from 15 to 23 nm and the saturation magnetization decreased from 13.734 to 10.623 emu/g. Higher luminescence and magnetic intensity are observed in the nanocomposites synthesized at 25 °C due to the enhanced crystallinity and size uniformity. Finally, in vitro cytotoxicity and in vivo MR images in SD mice demonstrated the excellent biocompatibility and high-resolution MR imaging of Fe₃O₄/Gd₂O₃:Tb³⁺@SiOx.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118162"},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487456","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":"Machine learning and first-principles study of non-lead-halogen Cs2NaB’Cl6 (B’= In, Cr, Y, Tb) double halide perovskites with optoelectronic properties","authors":"Changcheng Chen ,&nbsp;Yuxi Du ,&nbsp;Yaxin Xu ,&nbsp;Zhengjun Wang ,&nbsp;Yali Tuo ,&nbsp;Zhao Han ,&nbsp;Xiongfei Yun ,&nbsp;Shaohang Shi ,&nbsp;Jiangzhou Xie ,&nbsp;Shuli Gao ,&nbsp;Wen Chen ,&nbsp;Chao Dong ,&nbsp;Xiaoning Guan ,&nbsp;Gang Liu ,&nbsp;Pengfei Lu","doi":"10.1016/j.mseb.2025.118135","DOIUrl":"10.1016/j.mseb.2025.118135","url":null,"abstract":"<div><div>In the field of photovoltaic materials, wide-bandgap (Eg &gt; 1.63 eV) perovskite solar cells have broad application prospects in the power generation of tandem solar cells and the integration of photovoltaics into buildings, with advantages such as a light absorption coefficient, long carrier lifetime, strong response to weak light, and a simple preparation process. In this paper, the relevant data obtained by machine learning are screened and combined with the development concept of high efficiency and environmental protection; the lead-free Cs₂NaB’Cl₆ (B’ = In, Cr, Y, and Tb double-halide perovskite) is selected as the research object from the perspective of bandgap and energy. The structure and optoelectronic properties of the system are investigated using the first-principles density functional theory method. In terms of electrical performance, Cs₂NaInCl₆ and Cs₂NaCrCl₆ can be used for wide-bandgap perovskite batteries because of their bandgaps of 2.81 and 2.86 eV, while Cs₂NaYCl₆ and Cs₂NaTbCl₆ have bandgaps of 5.05 and 5.19 eV, which can be used for detectors. In terms of optical performance, the reflectivity of Cs₂NaB’Cl₆ (B’ = In, Cr, Y, Tb)-halide perovskite is all less than 11 %, with low reflection loss and no metallic luster, so the material system has high transmittance and can be used for research and development of high-transmittance applications. CsNaCrCl₆ shows a significant absorption peak in the visible light range, and the three materials show a significant absorption peak in the ultraviolet region. It is found that Cs₂NaCrCl₆ has broad application prospects in the field of tandem solar photovoltaic power generation and photovoltaic building integration because of its appropriate bandgap value, low reflectivity, and excellent light absorption performance. Cs₂NaInCl₆, Cs₂NaYCl₆, and Cs₂NaTbCl₆ have low dielectric constants, high chemical stability, high exciton binding energy, and excellent electrical properties and can be used as wide-bandgap, direct-bandgap, halide double-perovskite semiconductor materials and have potential application value in optoelectronic devices and optical detectors.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"316 ","pages":"Article 118135"},"PeriodicalIF":3.9,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487455","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}