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Carbon-based nanocomposites for all-solid-state rechargeable energy storage devices 全固态可充电储能装置用碳基纳米复合材料
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-05 DOI: 10.1016/j.mseb.2025.119171
Vijay Kumar Srivastava , A. Sowndarya , T. Daniel Thangadurai , Zdenek Sofer , S. Jayavani , Hanna J. Maria , Sabu Thomas
A feasible substitute for traditional batteries, solid-state rechargeable energy storage technologies provide benefits like higher energy density, improved safety, and longer cycle life. Nanomaterials (NMs) have confirmed great potential in overcoming the drawbacks of conventional lithium-ion batteries (LIBs), particularly carbon-based materials like graphene and carbon nanotubes (CNTs). To meet the increasing need for high-performance energy storage technologies, particularly for electric vehicles (EVs), more advancements are necessary. The incorporation of carbon-based nanomaterials into all-solid-state batteries (ASSBs) with photo-rechargeable characteristics is investigated in this study. ASSB performance in terms of energy density, cycle life, and power density can be greatly improved by the special qualities of CNTs and graphene, including their large surface area, superior mechanical strength, and electrical conductivity. To optimize the anode, cathode, and electrolyte materials, this study explores the most current revisions on the use of carbon-based NMs in ASSBs. Additionally, the possibilities of photo-rechargeable ASSBs made possible by the combination of charge-separation and light-harvesting mechanisms are examined. This assessment seeks to aid in the creation of next-generation energy storage systems by offering a thorough summary of current developments and prospective viewpoints.
固态可充电储能技术是传统电池的可行替代品,具有更高的能量密度、更高的安全性和更长的循环寿命等优点。纳米材料(NMs)在克服传统锂离子电池(LIBs)的缺点方面具有巨大的潜力,特别是碳基材料,如石墨烯和碳纳米管(CNTs)。为了满足对高性能储能技术日益增长的需求,特别是电动汽车(ev),需要更多的进步。研究了碳基纳米材料在具有光可充电特性的全固态电池(assb)中的应用。碳纳米管和石墨烯的特殊品质,包括它们的大表面积、优异的机械强度和导电性,可以大大提高ASSB在能量密度、循环寿命和功率密度方面的性能。为了优化阳极、阴极和电解质材料,本研究探索了碳基NMs在assb中使用的最新版本。此外,通过结合电荷分离和光收集机制,研究了光可充电assb的可能性。本评估旨在通过提供当前发展和前瞻性观点的全面总结,帮助创建下一代储能系统。
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引用次数: 0
From material to device: Integrated material, thin-film, and device optimization of Y, Gd, Sm doped TiO2 for Memristive applications 从材料到器件:Y, Gd, Sm掺杂TiO2忆阻应用的集成材料,薄膜和器件优化
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-05 DOI: 10.1016/j.mseb.2026.119180
Shilpa Shivaram , S. Rajesh , Archana Ashok , Alphonsa Maria Cyriac , S. Anslin Priya
Pure anatase TiO2 nanoparticles (P1) and TiO2 doped with 1 % yttrium (Y1), gadolinium (G1) and samarium (S1) were synthesized via the sol-gel method. Memristors were fabricated using spin coated thin films (pure and doped) via magnetron sputtering. An integrated optimization strategy for yttrium, gadolinium, and samarium doped TiO2 spanning the material, thin film and device scales is presented, aiming at the development of customised memristors. Material properties were analysed using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), and UV–Visible spectroscopy while thin films were examined optically. Thickness of thin films varied from 225 to 361 nm. Device performance was assessed through electrical measurements. Doping reduced the crystalline and particle size. G1 and Y1 exhibited the smallest crystalline (6.95 nm) and particle (26.18 nm) sizes respectively. S1, Y1 and G1 nanoparticles exhibited hexagonal, elongated agglomerates and spherical morphologies, with S1 displaying the highest oxygen vacancy. Band gaps decreased upon doping, with the lowest indirect band gap found in S1 (2.905 eV) and the smallest direct band gap observed in G1 (3.152 eV). Among the thin films investigated, S1 exhibited the lowest direct (3.59 eV) and indirect (3.26 eV) band gap energies. Memristors displayed narrow (S1) and wide (Y1) current-voltage hysteresis loops, with time dependent resistance and current variations measured for all devices. This study establishes the first integrated-analysis framework for the fabrication of customised Y, Gd, Sm doped TiO2 memristors. Keywords TiO2; yttrium; gadolinium; samarium; memristor; oxygen vacancy.
采用溶胶-凝胶法制备了纯锐钛矿型TiO2纳米颗粒(P1)和掺杂1%钇(Y1)、钆(G1)和钐(S1)的TiO2。采用磁控溅射法制备了自旋涂层薄膜(纯薄膜和掺杂薄膜)的忆阻器。提出了一种跨越材料、薄膜和器件尺度的钇、钆和钐掺杂TiO2的集成优化策略,旨在开发定制记忆电阻器。利用x射线衍射(XRD)、x射线光电子能谱(XPS)、透射电子显微镜(TEM)和紫外可见光谱分析了材料的性能,并对薄膜进行了光学检查。薄膜厚度从225 ~ 361 nm不等。通过电气测量评估设备性能。掺杂降低了晶体尺寸和颗粒尺寸。G1和Y1的晶体尺寸最小(6.95 nm),颗粒尺寸最小(26.18 nm)。S1、Y1和G1纳米颗粒表现为六边形、细长团块和球形形貌,其中S1的氧空位最高。掺杂后带隙减小,其中S1的间接带隙最小(2.905 eV), G1的直接带隙最小(3.152 eV)。在所研究的薄膜中,S1具有最低的直接带隙能(3.59 eV)和间接带隙能(3.26 eV)。忆阻器显示窄(S1)和宽(Y1)电流-电压滞回,具有随时间变化的电阻和电流变化测量所有器件。本研究建立了第一个用于定制Y, Gd, Sm掺杂TiO2忆阻器制造的集成分析框架。关键词二氧化钛;钇;钆;钐;忆阻器;氧空位。
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引用次数: 0
Tailoring the optical and structural properties of SnO2/SeO2 heterojunction nanofibers through electrospinning and thermal treatment 通过静电纺丝和热处理调整SnO2/SeO2异质结纳米纤维的光学和结构性能
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-05 DOI: 10.1016/j.mseb.2025.119164
Weronika Smok
In this work synthesis and characterization of SnO2/SeO2 heterojunction nanofibers fabricated via electrospinning followed by calcination at 500 °C and 600 °C is presented. The study provides a comprehensive analysis of the influence of calcination temperature on the structure, morphology, and optical properties of SnO2/SeO2 nanofibers. Results of the morphology analysis revealed that increasing the calcination temperature induces a reduction in both crystallite and nanofiber diameters, promotes the formation of structural defects, and facilitates the emergence of isolated nanoparticles on fiber surfaces. X-ray diffraction and X-ray photoelectron spectroscopy analyses confirmed the coexistence of amorphous SeO2 and polycrystalline SnO2 phases, forming heterojunctions, in which the density of structural defects and oxygen vacancies increases with increasing calcination temperature. The analysis of the optical properties of the produced SnO2/SeO2 nanofibers showed strong ultraviolet absorption accompanied by a temperature-dependent narrowing of the optical band gap from 2.77 eV to 2.47 eV, attributed to defect-induced energy levels within the band structure. These findings demonstrate that controlling the parameters of the calcination process enables the tuning of the optical and structural properties of SnO2/SeO2 nanofibers, making them promising candidates for applications in optoelectronics, photocatalysis, and advanced photovoltaic devices.
本文介绍了静电纺丝法制备SnO2/SeO2异质结纳米纤维的合成和表征,并分别在500℃和600℃下进行了煅烧。本研究全面分析了煅烧温度对SnO2/SeO2纳米纤维的结构、形貌和光学性能的影响。形貌分析结果表明,煅烧温度的升高导致晶体和纳米纤维直径的减小,促进了结构缺陷的形成,并有利于在纤维表面形成孤立的纳米颗粒。x射线衍射和x射线光电子能谱分析证实了非晶态SeO2和多晶SnO2相共存,形成异质结,其中结构缺陷和氧空位的密度随着煅烧温度的升高而增加。对制备的SnO2/SeO2纳米纤维的光学特性分析表明,由于能带结构中缺陷诱导的能级,其光学带隙从2.77 eV缩小到2.47 eV,同时具有较强的紫外吸收。这些发现表明,控制煅烧过程的参数可以调整SnO2/SeO2纳米纤维的光学和结构特性,使其成为光电子学、光催化和先进光伏器件的有希望的候选材料。
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引用次数: 0
Effect of two-step annealing on the structural uniformity and magnetic properties of Fe73.5Cu1Nb3Si13.5B9 alloy magnetic cores. 两步退火对Fe73.5Cu1Nb3Si13.5B9合金磁芯组织均匀性和磁性能的影响
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.mseb.2025.119170
Jiemin Li , Yanmei Yang , Xuelian Li , Yumei Song , Xingyu Liu , Shurong Ning , Guibing Shi , Li Wang
This study investigates the effects of a novel two-step annealing process on the structure uniformity and soft magnetic properties of Fe73.5Cu1Nb3Si13.5B9 cores. Its innovation lies in the synergistic effect of Cu-clad low-temperature pre-annealing combined with conventional secondary annealing. The results demonstrate that the cores subjected to low temperature pre-annealing exhibits superior soft magnetic properties, characterized by a higher initial permeability (μi ≈ 189,076) and a lower coercivity (Hc ≈ 1.34 A/m), compared to conventionally annealed cores (μi ≈ 134,645, Hc ≈ 1.92 A/m). Microstructural analysis reveales that the pre-annealing treatment promotes a more uniform distribution of nanocrystallites within the core. The enhanced performance is consistent with the random magnetocrystalline anisotropy model considering grain-size distribution, from the analysis of the measured average grain size, its distribution, and the crystallized volume fraction. Furthermore, the uniformity of the grain distribution is found to have a more significant impact on the magnetic properties than the grain size.
研究了一种新的两步退火工艺对Fe73.5Cu1Nb3Si13.5B9磁芯组织均匀性和软磁性能的影响。其创新之处在于包铜低温预退火与常规二次退火相结合的协同效应。结果表明,经低温预退火的磁芯具有较好的软磁性能,初始磁导率(μi≈189,076)和矫顽力(Hc≈1.34 a /m)均高于常规退火的磁芯(μi≈134,645,Hc≈1.92 a /m)。显微组织分析表明,预退火处理使纳米晶在芯内的分布更加均匀。从实测平均晶粒尺寸、晶粒分布、结晶体积分数等方面分析,增强的性能符合考虑晶粒尺寸分布的随机磁晶各向异性模型。此外,晶粒分布的均匀性比晶粒尺寸对磁性能的影响更显著。
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引用次数: 0
Gemini surfactant and L-tyrosine derived luminescent ionic liquid crystals for effective iodine capture Gemini表面活性剂和l -酪氨酸衍生的发光离子液晶用于有效的碘捕获
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.mseb.2025.119174
Muhammad Bilal Ahmad , Rabia Arif , Arifa Shaheen , Ritu Bala
In this study, luminescent ionic liquid crystals (ILCs) composed of a gemini surfactant (16-3-16) and an amino acid L-tyrosine (L-Tyr) were rationally designed and synthesized for the efficient removal of hazardous iodine. The structural and bonding features of the synthesized [16-3-16]∙2Tyr ILCs were confirmed using FT-IR, 1H NMR, 13C NMR, mass spectral, SAXS and XRD techniques. Confocal laser scanning microscopy (CLSM) and dynamic light scattering (DLS) revealed that the synthesized ILCs in aqueous solution exhibit strong green luminescence and self-assemble into multilayers and vesicles. The photoluminescence (PL) quantum yield of the [16-3-16]∙2Tyr ILCs was found to be 32.51 %. These ILCs exhibited exceptional iodine adsorption capacities of 3.29 ± 0.12 g g−1 in the vapour phase and 1.728 ± 0.09 g g−1 in solution. The adsorption kinetics follow a pseudo-second-order model, and the thermodynamic analysis confirms that the process is endothermic in nature. Remarkably, the material retained its performance over five reuse cycles following simple ethanol washing. The adsorption mechanism was elucidated through FT-IR, Raman spectroscopy, XPS and SEM-EDX techniques. The results suggest that iodine capture is primarily driven by charge transfer and strong acid-base interactions, facilitated by the aromatic nature of the ILCs, which enables the formation of stable iodine–π complexes. This study presents an innovative and recyclable ILC-based system for capturing iodine, offering a promising approach for environmental remediation applications.
本研究合理设计合成了由gemini表面活性剂(16-3-16)和氨基酸l -酪氨酸(L-Tyr)组成的发光离子液晶(ILCs),用于高效去除有害碘。采用FT-IR、1H NMR、13C NMR、质谱、SAXS和XRD等技术对合成的[16-3-16]∙2Tyr ILCs的结构和键合特征进行了表征。共聚焦激光扫描显微镜(CLSM)和动态光散射(DLS)结果表明,合成的ILCs在水溶液中表现出强烈的绿色发光,并自组装成多层和囊泡。结果表明,[16-3-16]∙2Tyr ILCs的光致发光量子产率为32.51%。这些ILCs在气相和溶液中分别表现出3.29±0.12 g g−1和1.728±0.09 g g−1的优异的碘吸附能力。吸附动力学符合准二阶模型,热力学分析证实了吸附过程的吸热性质。值得注意的是,在简单的乙醇洗涤后,该材料在重复使用五次后仍保持其性能。通过FT-IR、拉曼光谱、XPS和SEM-EDX等技术对其吸附机理进行了研究。结果表明,碘捕获主要由电荷转移和强酸碱相互作用驱动,并由ilc的芳香性质促进,从而形成稳定的碘-π配合物。本研究提出了一种创新的、可回收的基于ilc的碘捕获系统,为环境修复应用提供了一种有前途的方法。
{"title":"Gemini surfactant and L-tyrosine derived luminescent ionic liquid crystals for effective iodine capture","authors":"Muhammad Bilal Ahmad ,&nbsp;Rabia Arif ,&nbsp;Arifa Shaheen ,&nbsp;Ritu Bala","doi":"10.1016/j.mseb.2025.119174","DOIUrl":"10.1016/j.mseb.2025.119174","url":null,"abstract":"<div><div>In this study, luminescent ionic liquid crystals (ILCs) composed of a gemini surfactant (16-3-16) and an amino acid L-tyrosine (L-Tyr) were rationally designed and synthesized for the efficient removal of hazardous iodine. The structural and bonding features of the synthesized [16-3-16]∙2Tyr ILCs were confirmed using FT-IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, mass spectral, SAXS and XRD techniques. Confocal laser scanning microscopy (CLSM) and dynamic light scattering (DLS) revealed that the synthesized ILCs in aqueous solution exhibit strong green luminescence and self-assemble into multilayers and vesicles. The photoluminescence (PL) quantum yield of the [16-3-16]∙2Tyr ILCs was found to be 32.51 %. These ILCs exhibited exceptional iodine adsorption capacities of 3.29 ± 0.12 g g<sup>−1</sup> in the vapour phase and 1.728 ± 0.09 g g<sup>−1</sup> in solution. The adsorption kinetics follow a pseudo-second-order model, and the thermodynamic analysis confirms that the process is endothermic in nature. Remarkably, the material retained its performance over five reuse cycles following simple ethanol washing. The adsorption mechanism was elucidated through FT-IR, Raman spectroscopy, XPS and SEM-EDX techniques. The results suggest that iodine capture is primarily driven by charge transfer and strong acid-base interactions, facilitated by the aromatic nature of the ILCs, which enables the formation of stable iodine–π complexes. This study presents an innovative and recyclable ILC-based system for capturing iodine, offering a promising approach for environmental remediation applications.</div></div>","PeriodicalId":18233,"journal":{"name":"Materials Science and Engineering: B","volume":"326 ","pages":"Article 119174"},"PeriodicalIF":4.6,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928278","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}
引用次数: 0
Magnetostructural properties of rare earth substituted strontium hexaferrites 稀土取代锶六铁体的磁结构性质
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.mseb.2026.119179
M.F. Ramírez-Ayala , A. Lobo Guerrero , Umapada Pal , J.L. Pérez-Mazariego , J. León-Flores , M.L. Marquina , F.R. Barrientos Hernández
M-type strontium hexaferrites, with partial substitution of Sr2+ by rare earth ions (RE3+ = La, Pr, Nd, Sm and Gd) were synthesized via the Pechini method, following the formula Sr1-xRExFe12O19 (0.01 ≤ x ≤ 0.1). The influence of rare earth substitution on the structural, vibrational, and magnetic properties was systematically investigated using X-ray diffraction (XRD), Scanning electron microscopy, Fourier-transform infrared spectroscopy (FTIR), Vibrant sample magnetometry, and Mössbauer spectroscopy. XRD analysis confirmed the formation of a single-phase hexagonal M-type ferrite. Even at low RE3+ concentrations, notable variations were observed in lattice parameters. FTIR analysis revealed outstanding changes in metal‑oxygen stretching vibrations, particularly at tetrahedral sites, indicating the incorporation of rare earth ions. Mössbauer spectroscopy further confirmed RE incorporation and revealed notable alterations in hyperfine parameters at the 4f1, 4f2, and 2a sites, indicating changes in the local electronic and magnetic environments of Fe nuclei. In addition, morphology and magnetic properties were evaluated as a function of the rare earth substitution, highlighting the critical role of RE3+ dopants in tailoring the structural and magnetic behavior of strontium hexaferrites.
采用Pechini法合成了Sr2+被稀土离子(RE3+ = La, Pr, Nd, Sm和Gd)部分取代的m型锶六铁体,分子式为Sr1-xRExFe12O19(0.01≤x≤0.1)。采用x射线衍射(XRD)、扫描电镜(sem)、傅里叶变换红外光谱(FTIR)、动态样品磁强计(dsm)和Mössbauer光谱等方法系统地研究了稀土取代对结构、振动和磁性能的影响。XRD分析证实形成了单相六方m型铁氧体。即使在较低的RE3+浓度下,晶格参数也会发生显著变化。FTIR分析揭示了金属氧拉伸振动的显著变化,特别是在四面体位置,表明稀土离子的掺入。Mössbauer光谱进一步证实了RE的掺入,并揭示了4f1, 4f2和2a位点的超精细参数的显著变化,表明Fe原子核的局部电子和磁性环境发生了变化。此外,形貌和磁性能作为稀土取代的函数进行了评估,突出了RE3+掺杂剂在调整锶六铁体结构和磁性能方面的关键作用。
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引用次数: 0
Ag-Ag2S decorated F-MWCNTs nanofluids for heat transfer applications 用于传热应用的Ag-Ag2S修饰F-MWCNTs纳米流体
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.mseb.2025.119177
Shivakumar Jagadish Shetty , Shreepooja Bhat , Nanditha T.K. , Raghavendra K.G. , Ganesha A. , Ashutosh Gupta , A. Muthukrishnaraj , Maqsood R. Waikar , Rajendra G. Sonkawade , Shivamurthy R.C. , Gurumurthy S.C.
Automobiles, data centres, and electronic gadgets are facing a major issue of overheating due to the deterioration of the working parts. The excess heat generated, however, is eliminated using a liquid circulation system. Conventional fluids used in the circulation system reached their limit in completely removing generated heat. Hence, nanomaterials are dispersed in conventional fluids to form a new class of fluids known as nanofluids. Here, silver and silver(I) sulfide (Ag-Ag2S) alloy nanoparticles (AS NPs) were decorated on the surface of functionalized MWCNTs (F-MWCNTs) to prepare Ag-Ag2S/F-MWCNTs nanocomposite (AS:CNTs NC). The decoration and formation of the desired structure were proven by various spectroscopic analyses and microscopy. The AS:CNTs NC was then dispersed in Milli Q water to prepare nanofluids (0.2, 0.5, 1, and 2 v/v). The dispersion stability of the nanofluids was examined using zeta potential, an absorbance vs. time plot, and visual inspection. The thermophysical properties of the sample were assessed by evaluating the viscosity and thermal conductivity (TC). With the increase in the concentration of NC in the nanofluids, the viscosity increases at 0.2 v/v nanofluids, then decreases at 0.5 v/v and 1 v/v NC loading within the investigated shear range, and at 2 v/v, the measured viscosity is slightly lower than the base fluid. Additionally, the sample yielded approximately 115.08% and 192.28% enhancements in TC value at 30 °C and 50 °C, respectively, for 2 v/v concentration nanofluids. The enhancement in the TC indicates the suitability of the nanofluid for heat transfer applications.
汽车、数据中心和电子设备正面临着由于工作部件老化而导致的严重过热问题。然而,产生的多余热量通过液体循环系统消除。循环系统中使用的常规流体在完全去除产生的热量方面达到了极限。因此,纳米材料被分散在常规流体中,形成了一种被称为纳米流体的新型流体。本文将银和硫化银(Ag-Ag2S)合金纳米粒子(AS NPs)修饰在功能化的MWCNTs (F-MWCNTs)表面,制备Ag-Ag2S/F-MWCNTs纳米复合材料(AS:CNTs NC)。通过各种光谱分析和显微观察证实了所需结构的修饰和形成。然后将AS:CNTs NC分散在Milli Q水中制备纳米流体(0.2、0.5、1和2 v/v)。采用zeta电位、吸光度-时间图和目视检查来检测纳米流体的分散稳定性。通过粘度和导热系数(TC)来评价样品的热物理性质。随着纳米流体中NC浓度的增加,纳米流体在0.2 v/v时粘度增大,在0.5 v/v和1 v/v NC加载时粘度减小,在2 v/v时粘度略低于基液。此外,当纳米流体浓度为2 v/v时,样品在30°C和50°C时的TC值分别提高了约115.08%和192.28%。TC的增强表明纳米流体适合于传热应用。
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引用次数: 0
Exploring the reaction mechanisms of the cutting-edge hydrogen bond donor Allantoin-isocyanate precursor, with a comparative analysis utilizing density functional theory (DFT) 利用密度泛函理论(DFT)对比分析前沿氢键供体异氰酸尿囊素前体的反应机理
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-02 DOI: 10.1016/j.mseb.2025.119153
Jigneshkumar Thakkara , Nishant Pandya , Kalpana Devi , K.K. Singh
Researchers are investigating self-healing polymers inspired by the regenerative properties observed in biological systems, with a particular focus on allantoin hexamethylene diisocyanate (APY), synthesized via condensation polymerization. Thermogravimetric analysis (TGA) confirmed the organic nature of APY. Fourier-transform infrared spectroscopy (FTIR) indicated a 92 % correlation with allantoin reference spectra, while Nuclear Magnetic Resonance (NMR) analysis revealed an allantoin content of 89.73 %. Furthermore, flow injection mass spectrometry (FIMS) detected soluble allantoin, and Pyrolysis Gas Chromatography/Mass Spectrometry (Py-GC/MS) identified the presence of hexamethylene diisocyanate (HDI). Structural optimizations of allantoin and HDI were performed using Gaussian 16 software, employing density functional theory (DFT), which demonstrated that these compounds could function as both hydrogen bond donors and acceptors.
研究人员正在研究自愈聚合物,灵感来自于在生物系统中观察到的再生特性,特别关注通过缩聚合成的尿囊素六亚甲基二异氰酸酯(APY)。热重分析(TGA)证实了APY的有机性质。傅里叶变换红外光谱(FTIR)与尿囊素参考光谱的相关性为92%,核磁共振(NMR)分析显示尿囊素含量为89.73%。此外,流动注射质谱法(FIMS)检测到可溶性尿囊素,热解气相色谱/质谱法(Py-GC/MS)检测到六亚甲基二异氰酸酯(HDI)的存在。利用Gaussian 16软件,采用密度泛函理论(DFT)对尿囊素和HDI进行结构优化,结果表明,这两种化合物既可以作为氢键供体,也可以作为氢键受体。
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引用次数: 0
Hot injection synthesis parameters effects on the structure, crystallinity, microstructure and optical properties of Sb2S3 nanopowders 热注射合成参数对Sb2S3纳米粉体结构、结晶度、微观结构和光学性能的影响
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-02 DOI: 10.1016/j.mseb.2025.119165
Nikola Ilić , Ivana Validžić , Tanja Barudžija , Sanja Stevanović
Antimony sulfide amorphous and crystalline nanoparticles were synthesized by the hot-injection method. X-ray diffraction analysis confirmed the gradual growth and crystallization of amorphous particles with synthesis time and temperature. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) revealed spherical shapes of amorphous nanoparticles of 10–50 nm in radius and clothespin-shaped crystalline particles with a radius and length of several micrometers and an approximate aspect ratio of 2.5. Diffuse reflectance spectroscopy (DRS) implied a 1.8–2.0 eV, size-tunable, indirect band gap for the amorphous phase and a smaller, ∼1.6 eV, direct band gap for the crystalline phase. Thermogravimetry (TG/DSC) and Fourier-transform infrared (FTIR) spectroscopy studies show that amorphous powders have a low concentration of organic molecules, which are primarily eliminated during crystallization. The powders were spray deposited as an absorber layer in ITO/TiO2 + Sb2S3/P3HT/I2(I)/Al-composed solar cells, giving up to 1.2 % energy conversion efficiency when illuminated by a 290 W/m2 tungsten lamp as a source.
采用热注射法制备了硫化锑非晶纳米粒子和结晶纳米粒子。x射线衍射分析证实了非晶颗粒随合成时间和温度的增加而逐渐生长和结晶。扫描电镜(SEM)和原子力显微镜(AFM)观察到直径为10 ~ 50 nm的非晶态纳米颗粒呈球形,直径和长度为几微米,长径比约为2.5的衣夹状晶体颗粒。漫反射光谱(DRS)表明,非晶相的间接带隙为1.8-2.0 eV,大小可调,而晶体相的直接带隙较小,约1.6 eV。热重(TG/DSC)和红外傅立叶变换(FTIR)光谱研究表明,非晶态粉末中含有低浓度的有机分子,这些有机分子主要在结晶过程中被消除。将粉末作为吸收层喷射沉积在ITO/TiO2 + Sb2S3/P3HT/I2(I−)/ al组成的太阳能电池中,当290 W/m2钨丝灯作为光源照射时,能量转换效率高达1.2%。
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引用次数: 0
Coral-like α-Fe2O3 nanosensor for enhanced ammonia sensing at low operating temperature 珊瑚状α-Fe2O3纳米传感器在低温下增强氨传感
IF 4.6 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2026-01-02 DOI: 10.1016/j.mseb.2025.119172
Guixin Wan , Yunlong Jia , Zhanyi Zhu , Bingjie Ren , Tao Qin , Lin Ma
In this study, coral-like α-Fe2O3 gas sensing materials were synthesized via a simple hydrothermal-annealing method. By optimizing the calcination temperature, the material with high specific surface area and rapid dynamic response was obtained. The coral-like α-Fe2O3 which was calcined at 600 °C for 2 h exhibited excellent ammonia sensing properties: a low optimal operating temperature (220 °C), a high response value (50.26 to 200 ppm NH₃) alongside fast response/recovery times (13.6/33.4 s), and a good linear relationship between sensor response and ammonia concentration in the range of 10–200 ppm (regression coefficient R2 = 0.987). The coral-like interconnected porous architecture significantly enhanced gas diffusion and increased the contact area between target gases and the sensing materials. Simultaneously, it facilitated adsorption/desorption processes on both internal and external surfaces, contributing to rapid response/recovery kinetics and high sensitivity. Furthermore, gas sensors based on coral-like α-Fe2O3 demonstrated excellent selectivity to ammonia and robust long-term stability. Finally, the gas sensing mechanism of ammonia detection was also discussed.
本研究采用简单的水热退火法制备了类珊瑚α-Fe2O3气敏材料。通过优化煅烧温度,获得了比表面积高、动态响应快的材料。在600℃下煅烧2 h的珊瑚状α-Fe2O3具有优异的氨传感性能:较低的最佳工作温度(220℃),较高的响应值(50.26 ~ 200 ppm NH₃),快速的响应/恢复时间(13.6/33.4 s),传感器响应与氨浓度在10 ~ 200 ppm范围内具有良好的线性关系(回归系数R2 = 0.987)。珊瑚状的互联多孔结构显著增强了气体的扩散,增加了目标气体与传感材料的接触面积。同时,它促进了内部和外部表面的吸附/解吸过程,有助于快速响应/恢复动力学和高灵敏度。此外,基于珊瑚状α-Fe2O3的气体传感器对氨具有良好的选择性和良好的长期稳定性。最后,对氨检测的气敏机理进行了探讨。
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Materials Science and Engineering: B
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