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Studies of release kinetics and antibacterial activity on pH-responsive core–shell microparticles loaded with lactoferrin 负载乳铁蛋白的ph响应核壳微颗粒的释放动力学和抗菌活性研究
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-09 DOI: 10.1039/D5MA00864F
Teresa Paduano, Michela Salamone, Federica Carraturo, Simona Zuppolini, Mauro Zarrelli, Aldobenedetto Zotti, Rosa Vitiello, Marika Avitabile, C. Valeria L. Giosafatto, Marco Guida, Riccardo Tesser and Anna Borriello

Innovative delivery platforms based on biopolymer matrices are attracting increasing interest as effective tools to enhance the protection, solubility, and therapeutic outcome of sensitive bioactive compounds and macromolecules. This research focuses on the formulation and study of multilayered microsystems composed of naturally occurring polymers – specifically, alginate and chitosan – designed to encapsulate and gradually release lactoferrin, a multifunctional iron-binding glycoprotein with potent antimicrobial properties. Particularly, the iron-free lactoferrin form (apo-lactoferrin) plays a key role in the innate immune defense by exerting antimicrobial activity through two primary mechanisms: bacteriostatic and bactericidal. Lactoferrin-loaded microspheres were produced using a gentle ionic gelation technique and subsequently coated with a positively charged chitosan layer to maintain protein stability and regulate its release. Detailed morphological, thermal and physicochemical characterization studies were performed, along with release kinetics studies under various pH conditions. Additionally, the antimicrobial activity of the system was tested against clinically relevant bacterial strains, including S. aureus, P. aeruginosa and E. coli, at variable proton concentrations. The results showed that this core–shell platform enhances protein stability and selectively increases the antimicrobial efficacy under different pH conditions, demonstrating its potential for targeted intervention in infection-prone tissues with altered pH profiles. These findings suggest promising applications in pH-responsive topical treatments, particularly for managing chronic wounds and infection-prone tissues, where local pH alterations influence antimicrobial efficacy.

基于生物聚合物基质的创新给药平台作为提高敏感生物活性化合物和大分子的保护、溶解度和治疗效果的有效工具,正引起越来越多的兴趣。本研究的重点是由天然聚合物(特别是海藻酸盐和壳聚糖)组成的多层微系统的配方和研究,这些微系统被设计用于包封并逐渐释放乳铁蛋白,乳铁蛋白是一种具有强效抗菌性能的多功能铁结合糖蛋白。特别是,无铁乳铁蛋白形式(载铁乳铁蛋白)通过抑菌和杀菌两种主要机制发挥抗菌活性,在先天免疫防御中发挥关键作用。负载乳铁蛋白的微球采用温和的离子凝胶技术制备,随后包被带正电荷的壳聚糖层,以保持蛋白质的稳定性并调节其释放。进行了详细的形态学、热学和物理化学表征研究,以及在不同pH条件下的释放动力学研究。此外,还测试了该系统在不同质子浓度下对临床相关菌株的抗菌活性,包括金黄色葡萄球菌、铜绿假单胞菌和大肠杆菌。结果表明,该核壳平台在不同pH条件下增强了蛋白质稳定性,并选择性地提高了抗菌效果,表明其在改变pH谱的感染易发组织中具有靶向干预的潜力。这些发现表明,在pH响应性局部治疗中,特别是在处理慢性伤口和易感染组织方面,这些局部pH改变会影响抗菌效果。
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引用次数: 0
Sustainable TiO2 photocatalysts modified with hollyhock-derived carbon dots and natural dye for enhanced visible-light degradation of Congo red: a comparative study 蜀葵碳点与天然染料改性TiO2光催化剂增强刚果红可见光降解的比较研究
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1039/D5MA01037C
Govar H. Hamasalih, Sewara J. Mohammed and Shujahadeen B. Aziz

This study introduces a sustainable method for valorizing Alcea rosea (hollyhock) floral waste by developing two novel TiO2-based photocatalysts modified with biomass-derived materials: a natural dye (HH dye) and carbon dots (HHCDs). The HHCDs were synthesized via a one-pot hydrothermal process at 180 °C, yielding oxygen-rich, amorphous carbon dots. TiO2 nanoparticles were prepared by a sol–gel method and subsequently modified with either HH dye or HHCDs through environmentally benign procedures. Comprehensive characterization (FTIR, XRD, UV-vis, and FE-SEM) confirmed the successful incorporation of both modifiers and their interaction with the TiO2 surface. Optical analysis indicated a significant reduction in the bandgap for both composites, with HH dye@TiO2 (∼2.67 eV) exhibiting a lower bandgap than HHCDs@TiO2 (∼2.89 eV). Electrochemical measurements revealed that HHCDs@TiO2 facilitated more effective charge carrier separation, whereas HH dye@TiO2 demonstrated superior light-harvesting capabilities due to its anthocyanin content. In photocatalytic degradation experiments under visible light, HHCDs@TiO2 demonstrated superior performance, achieving 97.1% degradation of Congo red dye within 80 minutes, compared to 96.8% in 120 minutes for HH dye@TiO2. Both composites exhibited remarkable long-term stability, retaining over 95% of their efficiency after 180 days of storage. Optimal degradation conditions were identified at mildly acidic to neutral pH using 0.04 g of HHCDs@TiO2 and 0.06 g of HH dye@TiO2. This work presents a novel, dual-approach strategy for fabricating efficient and eco-friendly photocatalysts, highlighting their significant potential for solar-driven water purification and environmental remediation.

本研究介绍了一种可持续的方法,通过开发两种新型的二氧化钛光催化剂,用生物质来源的材料:天然染料(HH染料)和碳点(hhcd)改性。采用一锅水热法在180℃下合成了高氧非晶碳点。通过溶胶-凝胶法制备TiO2纳米颗粒,随后用HH染料或hhcd通过环保程序进行修饰。综合表征(FTIR, XRD, UV-vis和FE-SEM)证实了这两种改性剂的成功掺入以及它们与TiO2表面的相互作用。光学分析表明,两种复合材料的带隙都显著减小,HH dye@TiO2 (~ 2.67 eV)的带隙低于HHCDs@TiO2 (~ 2.89 eV)。电化学测量表明HHCDs@TiO2促进了更有效的电荷载流子分离,而HH dye@TiO2由于其花青素含量而表现出优越的光收集能力。在可见光下的光催化降解实验中,HHCDs@TiO2表现出优异的性能,在80分钟内对刚果红染料的降解率达到97.1%,而HH dye@TiO2在120分钟内的降解率为96.8%。这两种复合材料都表现出了显著的长期稳定性,在180天后保持了95%以上的效率。以0.04 g HHCDs@TiO2和0.06 g HH dye@TiO2为溶剂,确定了微酸性至中性pH下的最佳降解条件。这项工作提出了一种新的、双途径的策略来制造高效和环保的光催化剂,突出了它们在太阳能驱动的水净化和环境修复方面的巨大潜力。
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引用次数: 0
Condensation on soft substrates: a mesoscopic perspective 软基材上的冷凝:介观视角
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1039/D5MA00936G
Christopher Henkel, Ambre Bouillant, Jacco H. Snoeijer and Uwe Thiele

We consider the condensation and evaporation of a volatile partially wetting liquid on a soft substrate in contact with a homogeneously saturated gas phase. Recent experiments demonstrated a strong dependence of nucleation density on the substrate softness. Motivated by these experiments, we approach the problem considering both macroscale and mesoscale models. On the macroscale, we employ thermodynamic considerations to determine the critical nuclei energies and the resulting nucleation probabilities in the limits of rigid and liquid substrates. On the mesoscale, we use a gradient dynamics model for a drop of volatile liquid on a soft substrate with Kelvin–Voigt viscoelasticity in Winkler-foundation form. The governing energy functional incorporates elastic and interface energies as well as bulk liquid energy. We show that nucleation probabilities obtained with the two models agree for small supersaturation, but display differences when drop nuclei are small. Finally, we use the mesoscopic model to investigate the condensation and evaporation dynamics of drops in the intermediate elastic regime and relate the results to the experimental findings.

我们考虑了挥发性部分湿润液体在与均匀饱和气相接触的软基片上的冷凝和蒸发。最近的实验表明,成核密度对基材柔软度有很强的依赖性。在这些实验的激励下,我们考虑了宏观尺度和中尺度模型来解决这个问题。在宏观尺度上,我们采用热力学考虑来确定临界原子核能和在刚性和液体基底极限下的成核概率。在中尺度上,我们使用了一个梯度动力学模型来描述挥发性液体滴在软基质上的温克勒基础形式的Kelvin-Voigt粘弹性。控制能函数包括弹性能、界面能和散装液体能。结果表明,两种模型得到的成核概率在过饱和度较小时一致,但在滴核较小时则存在差异。最后,我们利用介观模型研究了水滴在中间弹性状态下的凝结和蒸发动力学,并将结果与实验结果联系起来。
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引用次数: 0
Low temperature green synthesis of red emitting Pb-free CsMnBr3 perovskite films 低温绿色合成红发无铅CsMnBr3钙钛矿薄膜
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1039/D5MA01256B
Saurabh Singh, Xiyu Wen and Fuqian Yang

Lead halide perovskites (APbX3) have demonstrated exceptional opto-electronic properties, but their inherent toxicity and environmental hazards hindered their practical deployment in display technologies such as liquid crystal display (LCD) backlights. Herein, we report for the first time a facile, water-mediated synthesis of red-emitting CsMnBr3 thin films from an aqueous solution of CsBr and MnBr2 precursors at a low temperature of ∼50 °C. Unlike traditional synthesis routes reported for synthesis of CsMnBr3 powders or nanocrystals, relying heavily on toxic solvents, high temperatures, or inert atmospheres, the green approach utilizes water as a benign medium to facilitate the [MnBr6] octahedral coordination assembly, yielding continuous red films with strong photoluminescence (λ: ∼644 nm, FWHM: ∼75 nm). The as-synthesized CsMnBr3 films exhibit remarkable optical quality with an ultra-wide color gamut coverage (∼132% of NTSC 1953 and ∼186% of sRGB color standards), making them a promising alternative for traditional red phosphors in LCD backlight applications. The characterization of electrical and photo-responses reveals a negative photoconductivity under UV irradiation, attributed to the powdered microstructure and hygroscopic nature of MnBr2 under ambient air conditions. The photo-response of the red-emissive CsMnBr3 films exhibits a power-law dependence on high-energy irradiation under ambient conditions at ∼18 °C and a relative humidity of ∼65%, along with faster self-recovery behavior, highlighting the complex role of defect-mediated charge transport. This green, low-cost, and scalable synthesis route offers a promising pathway toward sustainable and lead-free phosphor materials for next-generation wide-color-gamut display technologies.

卤化铅钙钛矿(APbX3)具有优异的光电性能,但其固有的毒性和环境危害阻碍了其在液晶显示(LCD)背光等显示技术中的实际应用。在此,我们首次报道了在低温~ 50°C的条件下,由CsBr和MnBr2前驱体的水溶液中以水为媒介合成红色发射CsMnBr3薄膜的方法。与传统的合成CsMnBr3粉末或纳米晶体的方法不同,绿色方法利用水作为良性介质来促进[MnBr6]八面体配位组装,产生具有强光致发光(λ: ~ 644 nm, FWHM: ~ 75 nm)的连续红色薄膜。合成的CsMnBr3薄膜具有卓越的光学质量,具有超宽的色域覆盖范围(约为NTSC 1953的132%和sRGB颜色标准的186%),使其成为LCD背光应用中传统红色荧光粉的有希望的替代品。电学和光响应的表征表明,在紫外光照射下,MnBr2具有负的光电导率,这归因于其粉末微观结构和在环境空气条件下的吸湿性。红发射CsMnBr3薄膜的光响应在~ 18°C和~ 65%相对湿度的环境条件下表现出幂律依赖于高能辐照,以及更快的自我恢复行为,突出了缺陷介导的电荷输运的复杂作用。这种绿色、低成本、可扩展的合成路线为下一代宽色域显示技术的可持续和无铅荧光粉材料提供了一条有前途的途径。
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引用次数: 0
Effect of carbide on wear mechanisms at 300 °C of composite coatings sprayed by HVOF 碳化物对HVOF喷涂复合涂层300℃磨损机理的影响
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1039/D5MA01042J
Alejandra Islas Encalada, Pantcho Stoyanov, Mary Makowiec, Christian Moreau and Richard R. Chromik

Evaluation of the wear behavior of composite coatings based on Stellite 6 with additions of WC-Ni and Cr3C2, produced via high-velocity oxygen fuel (HVOF) spraying at an elevated temperature. Evaluation of the effects of these carbides on the wear mechanism and to determine their impact on the formation of protective tribolayers. Stellite 6, a cobalt-based alloy, is widely known for its resistance to wear and corrosion, and the incorporation of carbides such as WC-Ni and Cr3C2 further enhances these properties. Two types of composite coatings were developed: SW (Stellite 6 with WC-Ni) and SWC (Stellite 6 with WC-Ni and Cr3C2). Microstructural analysis revealed that the carbides were uniformly distributed in the Stellite 6 matrix, with higher hardness and improved wear performance compared to similar coatings without carbides. Wear tests were conducted at room temperature and 300 °C. The results indicate that both coatings exhibit low wear rates caused by different wear mechanisms when tested at elevated temperatures.

高温高速氧燃料(HVOF)喷涂制备的钨铬钴酸盐- ni和Cr3C2复合涂层的磨损性能评价评估这些碳化物对磨损机制的影响,并确定它们对保护性摩擦层形成的影响。钨铬钴合金(Stellite 6)是一种钴基合金,以其耐磨损和耐腐蚀而闻名,而WC-Ni和Cr3C2等碳化物的加入进一步增强了这些性能。开发了两种复合涂层:SW(钨铬钴合金6与WC-Ni)和SWC(钨铬钴合金6与WC-Ni和Cr3C2)。显微组织分析表明,碳化物在Stellite 6基体中分布均匀,与不含碳化物的同类涂层相比,具有更高的硬度和更好的耐磨性能。在室温和300℃条件下进行磨损试验。结果表明,两种涂层在高温下均表现出由不同磨损机制引起的低磨损率。
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引用次数: 0
Enhanced performance of biobased composite films: the role of boron nitride nanoplatelets in tuning their hydrophobic, chemical resistance, thermal and electrical properties 增强生物基复合膜的性能:氮化硼纳米片在调整其疏水性,耐化学性,热学和电学性能中的作用
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-06 DOI: 10.1039/D5MA00702J
Bitupan Mohan, Rahul Sonkar, Mridusmita Barman and Devasish Chowdhury

The development of sustainable biodegradable polymers or biopolymer-based composites is vital for addressing environmental challenges posed by petroleum-derived materials. However, the practical applications of biopolymers remain constrained by the poor mechanical strength, low chemical stability and poor thermal conductivity. In this study, a multifunctional bio-composite film with excellent mechanical strength and enhanced hydrophobicity was fabricated by incorporating exfoliated boron nitride nanoplates (BNNPs) and cellulose nanofibers (CNFs) into the chitosan (CH) matrix. The influence of BNNP loading on the structural, thermal and surface properties of the film was systematically investigated. Increasing the loading of BNNPs alters the wettability of the resulting films, while significantly enhancing their mechanical strength, thermal stability, and UV shielding performance. At an optimum BNNP loading of 2 wt%, the composite film achieved a tensile strength of 46.3 MPa (an ∼82% increase relative to the CH–CNF film), enhanced hydrophobicity with a contact angle of 117.1° and a thermal conductivity of 0.68 W m−1 °C. The film also demonstrated excellent resistance to acidic and alkaline environments. Structural and morphological analyses confirmed uniform dispersion of BNNPs and strong interfacial interaction with CNFs, promoting effective stress transfer and phonon transport. Furthermore, the bio-composite film displayed sensitivity towards ammonia (NH3), showing a decrease in resistance as observed in Cole–Cole plots upon exposure to ammonia, depicting improved charge transfer. These findings highlight the synergistic role of BNNPs and CNFs in engineering high-performance, eco-friendly films suitable for packaging, protective coatings, and flexible electronics as well as the film's potential for ammonia sensing applications.

开发可持续的可生物降解聚合物或生物聚合物基复合材料对于解决石油衍生材料带来的环境挑战至关重要。然而,生物聚合物的实际应用仍然受到机械强度差、化学稳定性低和导热性差的限制。本研究通过在壳聚糖(CH)基质中掺入片状氮化硼纳米板(BNNPs)和纤维素纳米纤维(CNFs),制备了一种具有优异机械强度和增强疏水性的多功能生物复合膜。系统地研究了BNNP负载对薄膜结构、热性能和表面性能的影响。增加BNNPs的负载改变了所得薄膜的润湿性,同时显著提高了它们的机械强度、热稳定性和紫外线屏蔽性能。在最佳BNNP负载为2 wt%时,复合膜的抗拉强度达到46.3 MPa(相对于CH-CNF膜提高了82%),疏水性增强,接触角为117.1°,导热系数为0.68 W m−1°C。该薄膜还表现出优异的耐酸性和碱性环境。结构和形态分析证实了BNNPs的均匀分散和与CNFs的强界面相互作用,促进了有效的应力传递和声子输运。此外,生物复合膜对氨(NH3)表现出敏感性,在Cole-Cole图中观察到,暴露于氨后,其电阻下降,表明电荷转移得到改善。这些发现突出了BNNPs和CNFs在工程高性能,环保薄膜中的协同作用,适用于包装,保护涂层和柔性电子产品,以及薄膜在氨传感应用中的潜力。
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引用次数: 0
A brief overview of anodic memristors: fundamentals, classification and properties 阳极记忆电阻器简介:基本原理、分类和性能
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-05 DOI: 10.1039/D5MA01223F
Elena Atanasova, Andreas Greul, Achim Walter Hassel, Andrea Zaffora, Monica Santamaria and Andrei Ionut Mardare

Memristors have emerged as a promising technology for next-generation memory and neuromorphic computing due to their ability to mimic synaptic behavior and retain previous resistance states, while showing potential as future energy-efficient devices. Various materials have been investigated for resistive switching applications, including valve metals, Hf, Nb, Ta, Ti, etc., which stand out due to their ability to form stable oxide layers with tuneable oxide growth and ability for controlled defect engineering. These properties are crucial for obtaining reliability and scalability in memristive devices. A significant advantage of anodic memristor fabrication in comparison to other methods is the anodization process. It is a simple, cost-effective electrochemical method, which can ensure precise control over the oxide thickness, composition, and intrinsic defect structuring. By adjusting anodization parameters, it is possible to influence oxygen vacancy distribution and interfacial properties, thus enhancing resistive switching capabilities such as formation voltage, switching voltage, endurance, and retention. This review provides a detailed evaluation of memristive devices based on anodic oxides, from their fabrication, resistive switching mechanisms, and defect structuring to applications in memory and neuromorphic computing. Furthermore, a comparison of various valve metals and their alloys is presented, identifying their individual advantages and limitations in memristive performance.

忆阻器已经成为下一代记忆和神经形态计算的一项有前途的技术,因为它们能够模仿突触行为并保持先前的电阻状态,同时显示出作为未来节能设备的潜力。各种材料已经被研究用于电阻开关的应用,包括阀门金属,Hf, Nb, Ta, Ti等,这些材料因其能够形成稳定的氧化层,具有可调谐的氧化物生长和控制缺陷工程的能力而脱颖而出。这些特性对于在忆阻器件中获得可靠性和可扩展性至关重要。与其他方法相比,阳极记忆电阻器制造的一个显著优点是阳极化过程。这是一种简单、经济的电化学方法,可以确保对氧化物厚度、成分和内在缺陷结构的精确控制。通过调整阳极氧化参数,可以影响氧空位分布和界面性质,从而提高电阻开关能力,如形成电压、开关电压、续航能力和保持能力。本文综述了基于阳极氧化物的记忆器件的详细评价,从它们的制造、电阻开关机制、缺陷结构到在记忆和神经形态计算中的应用。此外,还比较了各种阀门金属及其合金,确定了它们在记忆性能方面的各自优势和局限性。
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引用次数: 0
Complexation-driven synthesis of potassium copper ferrocyanide nanoparticles for nonenzymatic glucose detection: an electrochemical and FET-based approach 络合驱动合成用于非酶葡萄糖检测的亚铁氰化钾铜纳米颗粒:电化学和基于fet的方法
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1039/D5MA01041A
Chandan Saha, Pooja Kumari, Mustafizur Hazarika and Kaushik Mallick

The detection of glucose holds significant importance in clinical medicine, particularly for the diagnosis and management of diabetes. In this study, a complexation-mediated strategy was employed to synthesize nanostructured potassium copper ferrocyanide (PCFC) nanoparticles within the size range of 2 to 5 nm, which were subsequently investigated for their potential application in non-enzymatic electrochemical and field-effect transistor-based glucose sensing platforms. Key performance metrics of the sensor, including sensitivity, detection limit, linear response range, response time and selectivity towards glucose in an alkaline electrolyte medium, were systematically investigated. Electrochemical measurements, utilizing cyclic voltammetry (CV) and differential pulse voltammetry (DPV), confirmed the electrocatalytic activity of the synthesized material for glucose oxidation, primarily attributed to the crucial role of the Cu2+/Cu3+ redox couple. The CV and DPV techniques yielded sensitivities of 0.41 mA mM−1 cm−2 and 0.50 mA mM−1 cm −2, with limits of detection of 1.09 mM and 1.01 mM, respectively. Application of potassium copper ferrocyanide within an extended gate-field effect transistor architecture showed promising glucose sensing performance, as evidenced by linear shifts in transfer characteristics and effective modulation of drain current upon glucose addition, with the sensitivity and limit-of-detection values of 0.033 mA mM−1 cm−2 and 0.28 mM, respectively. The sensor exhibited good sensitivity, a low detection limit and excellent selectivity in the presence of common biological interferents. The practical applicability of the transistor-based sensor was also demonstrated through real-sample analysis, which showed high accuracy and repeatability, suggesting its potential for practical biomedical and clinical diagnostic applications.

葡萄糖的检测在临床医学中具有重要意义,特别是对糖尿病的诊断和治疗。在这项研究中,采用络合介导的策略合成了尺寸在2至5 nm范围内的纳米结构钾铜亚铁氰化物(PCFC)纳米颗粒,随后研究了其在非酶电化学和基于场效应晶体管的葡萄糖传感平台中的潜在应用。系统地研究了传感器的关键性能指标,包括灵敏度、检出限、线性响应范围、响应时间和对碱性电解质介质中葡萄糖的选择性。利用循环伏安法(CV)和差分脉冲伏安法(DPV)的电化学测量证实了合成材料对葡萄糖氧化的电催化活性,主要归因于Cu2+/Cu3+氧化还原对的关键作用。CV和DPV技术的灵敏度分别为0.41 mA mM−1 cm−2和0.50 mA mM−1 cm−2,检测限分别为1.09 mM和1.01 mM。将亚铁氰化钾铜应用于扩展门场效应晶体管结构中,显示出良好的葡萄糖传感性能,传递特性的线性变化和葡萄糖加入后漏极电流的有效调制证明了这一点,灵敏度和检测限分别为0.033 mA mM−1 cm−2和0.28 mM。该传感器具有良好的灵敏度、较低的检测限和对常见生物干扰的选择性。通过对实际样品的分析,验证了晶体管传感器的实用性,显示出较高的准确性和可重复性,表明其在实际生物医学和临床诊断方面的应用潜力。
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引用次数: 0
The role of atomic-level understanding in optimizing lithium titanate oxide based anodes for lithium-ion batteries 原子水平的理解在优化锂离子电池钛酸锂氧化物基阳极中的作用
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1039/D5MA01027F
Emaan Shahid and Abdul Majid

Lithium titanate oxide (LTO) has gained significant attention recently as a promising candidate for anode materials in lithium-ion batteries because of its stable operating potential and unique zero-strain behavior. Despite these advantages, its use is limited because of poor electronic conductivity and sluggish lithium-ion diffusion. This review highlights how the atomic-level understanding of various strategies, such as structural architecture engineering, doping, and defect engineering, is gained through advanced computational approaches. Computational studies on lithium vacancies and defects reveal how dopants like Nb5+ and Al3+ influence the charge transport and introduce charge compensation. Furthermore, density functional theory (DFT) based studies illustrate that the diffusion barrier of lithium ions at engineered sites is significantly lower than that of the bulk structure. The impact of these three modification strategies on the LTO structure is examined along with experimental validation of the computational results. Finally, this review highlights future directions of the role of computational tools in accelerating the performance and rational design of high-performance LTO anodes.

钛酸锂氧化物(LTO)由于其稳定的工作电位和独特的零应变性能,近年来作为锂离子电池负极材料备受关注。尽管有这些优点,但由于电子导电性差和锂离子扩散缓慢,它的使用受到限制。这篇综述强调了如何通过先进的计算方法获得对各种策略(如结构建筑工程、掺杂和缺陷工程)的原子级理解。对锂空位和缺陷的计算研究揭示了Nb5+和Al3+等掺杂剂如何影响电荷输运并引入电荷补偿。此外,基于密度泛函理论(DFT)的研究表明,锂离子在工程部位的扩散势垒明显低于体结构。研究了这三种修饰策略对LTO结构的影响,并对计算结果进行了实验验证。最后,本综述强调了计算工具在加速高性能LTO阳极的性能和合理设计方面的作用的未来方向。
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引用次数: 0
Graphene-PVDF composite membrane for piezoelectric nanogenerators and lithium-ion batteries 用于压电纳米发电机和锂离子电池的石墨烯- pvdf复合膜
IF 4.7 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1039/D5MA00960J
Ashok Kushwaha, Anu Teresa Peter, Faiz Ullah Shah and Dipti Gupta

Herein, we introduce a composite membrane comprising polyvinylidene fluoride/graphene nanosheets (PVDF/graphene) for applications in piezoelectric nanogenerators (PENGs) and lithium-ion batteries (LIBs), where the graphene nanosheets play a vital role in enhancing the piezoelectric properties, surface energy, and porosity. A comparative analysis of the pure PVDF and the PVDF/graphene is conducted to evaluate their piezoelectric performance and suitability as separators in LIBs. The PVDF/graphene composite membrane produced a significantly improved piezoelectric output of ∼10.8 V under a force of 75 N, while the pure PVDF membrane exhibited only ∼3.7 V under the same conditions. Additionally, the Li//PVDF/graphene//graphite half-cell retained ∼81.3% of its specific capacity and maintained a coulombic efficiency of over 99.2% after 100 cycles at a 0.2 C rate. In contrast, the Li//pure PVDF//graphite half-cell retained only ∼48.6% specific capacity. Furthermore, in a full-cell configuration, the graphite//PVDF/graphene//LCO cell demonstrated excellent stability, retaining ∼88% of its specific capacity after 50 cycles, whereas the cell with pure PVDF membrane retained only 38%. Therefore, the PVDF/graphene nanosheet composite membrane has the potential to be used as a piezoelectric membrane in PENGs and as a separator in LIBs.

在此,我们介绍了一种由聚偏氟乙烯/石墨烯纳米片(PVDF/石墨烯)组成的复合膜,用于压电纳米发电机(PENGs)和锂离子电池(LIBs),石墨烯纳米片在提高压电性能、表面能和孔隙率方面起着至关重要的作用。对纯PVDF和PVDF/石墨烯进行了对比分析,以评价它们的压电性能和作为锂离子电池隔膜的适用性。PVDF/石墨烯复合膜在75 N的力下产生了显著提高的压电输出~ 10.8 V,而纯PVDF膜在相同条件下仅表现出~ 3.7 V。此外,Li//PVDF/石墨烯//石墨半电池在0.2℃下循环100次后保持了约81.3%的比容量,并保持了超过99.2%的库仑效率。相比之下,Li//纯PVDF//石墨半电池仅保留了~ 48.6%的比容量。此外,在全电池结构中,石墨//PVDF/石墨烯//LCO电池表现出优异的稳定性,在50次循环后保持约88%的比容量,而纯PVDF膜的电池仅保留38%。因此,PVDF/石墨烯纳米片复合膜有潜力用作peng中的压电膜和lib中的分离器。
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