Journal of Science: Advanced Materials and Devices最新文献_第7页

Design and analysis of 3D stacked nanosheet-based capacitorless DRAM with separated storage regions under process variations 工艺变化下基于纳米片的无电容3D堆叠DRAM的设计与分析

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-12 DOI: 10.1016/j.jsamd.2025.101047

Soo Bean Song , Jin Park , Won Suk Koh , Gang San Yun , Kyeong Min Lim , Jaewon Jang , Jin Hyuk Bae , Sang Ho Lee , Young Jun Yoon , In Man Kang

Conventional one-transistor–one-capacitor (1T–1C) dynamic random-access memory (DRAM) faces significant challenges in achieving high integration and cell-area scaling due to physical limitations in maintaining the size and shape of the cell capacitor. As device scaling progresses, securing sufficient capacitance becomes increasingly difficult, necessitating the fabrication of high–aspect-ratio capacitors. This requirement, in turn, increases process complexity and manufacturing cost. To address these limitations, this study proposes a gate-all-around (GAA) nanosheet (NS)–based capacitorless DRAM (1T-DRAM) structure, in which the current conduction path and the hole storage region are physically separated. The proposed device was evaluated through simulations that examined structural variations, such as taper angle and Si edge rounding induced by vertical stacking and etching, as well as electrical disturbances during memory array operation to assess device reliability. Simulation results indicate that smaller taper angles and increased Si edge rounding reduce the effective channel width, leading to an increased sensing margin (SM) but a decreased retention time (RT). This behavior is attributed to variations in stored hole density. The proposed structure also shows heightened sensitivity to taper angle variation, underscoring the importance of precise reactive-ion etching (RIE) control. Furthermore, under electrical array disturbance conditions, the proposed 1T-DRAM maintains stable operation, exhibiting variations of less than ±2 % in SM and ±6 % in RT, demonstrating its robustness. These findings highlight the potential of the proposed architecture for realizing highly integrated and reliable memory devices.

传统的一晶体管一电容（1T-1C）动态随机存取存储器（DRAM）在实现高集成度和单元面积缩放方面面临着重大挑战，因为在保持单元电容器的尺寸和形状方面存在物理限制。随着器件规模的发展，确保足够的电容变得越来越困难，需要制造高宽高比电容器。这一需求反过来又增加了工艺的复杂性和制造成本。为了解决这些限制，本研究提出了一种基于栅极全方位（GAA）纳米片（NS）的无电容DRAM （1T-DRAM）结构，其中电流传导路径和空穴存储区域在物理上是分开的。通过模拟来评估该器件的结构变化，如垂直堆叠和蚀刻引起的锥度角和硅边圆角，以及存储阵列运行期间的电干扰，以评估器件的可靠性。仿真结果表明，减小锥度角和增大硅边圆角会减小有效通道宽度，导致传感裕度（SM）增加，但保持时间（RT）减少。这种行为归因于储孔密度的变化。所提出的结构对锥角变化也表现出高度的敏感性，强调了精确反应离子蚀刻（RIE）控制的重要性。此外，在阵列扰动条件下，所提出的1T-DRAM保持稳定运行，SM变化小于±2%，RT变化小于±6%，证明了其鲁棒性。这些发现突出了所提出的架构在实现高度集成和可靠的存储设备方面的潜力。

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引用次数: 0

Toward sustainable PFAS elimination: Engineering TiO2 photocatalysts for complete mineralization and defluorination 迈向可持续消除PFAS：工程TiO2光催化剂完全矿化和脱氟

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-12 DOI: 10.1016/j.jsamd.2025.101041

Zakariyya Uba Zango , Khalid Hassan Ibnaouf , Abdurrashid Haruna , Muhammad Abubakar Lawal , Ismael A. Wadi , Moez A. Ibrahem , Fatima Bukola Shittu , Haruna Adamu

The inescapable environmental persistence of perfluoroalkyl substances (PFAS) necessitates the development of advanced destructive technologies for their elimination. One promising approach is the photodegradation technique, which utilizes light energy to generate reactive species that can completely mineralize and defluorinate the PFAS into harmless substances. Accordingly, this comprehensive review critically evaluates the potential and limitations of TiO₂ and its composites as valuable engineering materials for the PFAS degradation. The review focuses on innovative methods for enhancing TiO₂, such as doping with metals and non-metals, as well as creating heterojunction and composite structures. These modifications aimed at increasing the surface area, reducing the bandgap, improving visible light absorption, enhancing charge separation, and promoting the concentration of PFAS near active sites to facilitate effective degradation. The findings showcase remarkable degradation and defluorination of PFAS due to these enhancements. However, the review also uncovers significant challenges for real-world applications and the potential risk of secondary contamination, highlighting the existence of a critical gap between laboratory efficiency and field practicality. Therefore, while TiO₂-based photocatalysis holds exceptional promise, its transition to a scalable, sustainable technology requires a research paradigm shift towards eco-design with benign dopants, reactor optimization for real wastewater, and rigorous lifecycle assessments to ensure net environmental benefit, thereby ultimately positioning this technology as a potential foundation for addressing one of today's most pressing environmental challenges.

全氟烷基物质在环境中不可避免地存在，因此有必要开发先进的破坏性技术来消除它们。一种很有前途的方法是光降解技术，它利用光能产生反应性物质，可以完全矿化PFAS并将其除氟化为无害物质。因此，本文综合评价了TiO2及其复合材料作为降解PFAS的有价值的工程材料的潜力和局限性。本文重点介绍了增强TiO2的创新方法，如金属和非金属掺杂，以及创建异质结和复合结构。这些修饰旨在增加表面面积，减小带隙，改善可见光吸收，增强电荷分离，并提高活性位点附近PFAS的浓度，以促进有效降解。研究结果显示，由于这些增强，PFAS显着降解和去氟化。然而，该综述也揭示了现实应用中的重大挑战和二次污染的潜在风险，突出了实验室效率和现场实用性之间存在的关键差距。因此，虽然基于tio2的光催化具有非凡的前景，但其向可扩展的可持续技术的转变需要研究范式转向使用良性掺杂剂的生态设计，对实际废水进行反应器优化，并进行严格的生命周期评估，以确保净环境效益，从而最终将该技术定位为解决当今最紧迫的环境挑战之一的潜在基础。

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引用次数: 0

Highly stable memory performance of PMMA-ZnO NPs hybrid nanocomposite-based ReRAM 基于PMMA-ZnO NPs杂化纳米复合材料的ReRAM的高稳定存储性能

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-12 DOI: 10.1016/j.jsamd.2025.101048

Anirudh Kumar , Prateek Kumar , Satendra Pal Singh , Sejoon Lee , Sanjeev Kumar Sharma

Two-terminal memories with a metal-insulator-metal (MIM) sandwich architecture are promising candidates for the next generation of non-volatile memory technologies. Nanostructured hybrid nanocomposites have gained significant interest due to their inexpensive manufacturing costs and exceptional scalability. In this work, we report Resistive random-access memory (ReRAM) devices based on hybrid networks of PMMA-ZnO NPs with varying ZnO NPs (wt.%) concentrations deposited on ITO-coated quartz glass substrates via the sol-gel spin-coating technique. The fabricated Al/PMMA-ZnO NPs/ITO devices exhibited bipolar hysteresis curves. It has been observed that the device with 7 wt% ZnO NPs exhibited a high LRS/HRS ratio of 1 × 10⁴ with excellent data retention stability (1000 h) and endurance (1 × 10⁴ switching cycles). The double-logarithmic I-V curve, fitted with theoretical conduction models, shows that charge transport in the device is mainly governed by ohmic conduction and Schottky emission during the SET process. In contrast, ohmic conduction and Fowler-Nordheim tunnelling were the dominant charge-transport mechanisms during the RESET process. Furthermore, the energy band and the filament formation model were proposed to explain the switching mechanism. These findings highlight the potential of PMMA-ZnO NPs hybrid nanocomposites for enabling more efficient, scalable, and cost-effective non-volatile storage solutions.

具有金属-绝缘体-金属（MIM）夹层结构的双端存储器是下一代非易失性存储器技术的有前途的候选者。纳米结构的杂化纳米复合材料由于其低廉的制造成本和优异的可扩展性而引起了人们的极大兴趣。在这项工作中，我们报道了基于PMMA-ZnO NPs混合网络的电阻随机存取存储器（ReRAM）器件，该网络具有不同的ZnO NPs （wt.%）浓度，通过溶胶-凝胶自旋涂层技术沉积在ito涂层的石英玻璃衬底上。制备的Al/PMMA-ZnO NPs/ITO器件呈现双极迟滞曲线。结果表明，采用7 wt% ZnO纳米粒子的器件具有1 × 104的高LRS/HRS比，具有优异的数据保持稳定性（1000 h）和耐久性（1 × 104个开关循环）。拟合理论传导模型的双对数I-V曲线表明，在SET过程中，器件内的电荷输运主要受欧姆传导和肖特基发射控制。相反，欧姆传导和Fowler-Nordheim隧穿是RESET过程中主要的电荷输运机制。此外，还提出了能量带和灯丝形成模型来解释开关机理。这些发现突出了PMMA-ZnO纳米复合材料在实现更高效、可扩展和更具成本效益的非易失性存储解决方案方面的潜力。

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引用次数: 0

A compact SNG-SRR Metamaterial sensor with enhanced sensitivity for biomedical applications 紧凑的SNG-SRR超材料传感器，具有增强的生物医学应用灵敏度

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-10 DOI: 10.1016/j.jsamd.2025.101044

Md Shakhawat Hossen , Mohammad Tariqul Islam , Mohamad A. Alawad , Abdulmajeed M. Alenezi , Mohd Hafiz Baharuddin , Yazeed Alkhrijah , Mohamed Ouda , Mohamed S. Soliman

This paper presents a compact single-negative (SNG) split-ring resonator (SRR) metamaterial sensor developed for non-invasive wound dressing moisture monitoring. The sensor is fabricated on a Rogers RT5880 substrate (

ɛ_{r} = 2.2

,

tan δ = 0.009

), occupies only

25 \times 20 {mm}^{2}

, and operates reliably within the 2.0–2.8 GHz band, exhibiting a sharp

- 28

dB transmission notch at 2.43 GHz. By exploiting epsilon-negative (ENG,

ɛ < 0

) behavior, the design achieves strong electromagnetic field confinement and a high surface current density of 98.8 A/m, enabling superior sensitivity and resonance selectivity compared to conventional SRR/CSRR sensors. The sensor’s performance was validated through both simulations and experiments using five wound dressing materials: (i) cotton gauze, (ii) hydrocolloid, (iii) polyurethane, (iv) alginate, and (v) hydrogel, under dry and soaked conditions. As the effective permittivity increased from

ɛ_{r} = 2.2

(dry) to

ɛ_{r} = 18.0

(20% blood concentration), the resonance frequency shifted from 2.43 GHz to 1.70 GHz, corresponding to a total shift of 0.73 GHz. This yielded normalized sensitivities ranging from 10.3% at 5% blood concentration to 30.0% at 20% blood concentration, with slope-based sensitivity peaking at 4.1%

/ ɛ

near 10% blood concentration. Importantly, the sensor maintained a Q-factor above 30 across all loading conditions, confirming its robustness and measurement reliability. Operating within the 2.0–2.8 GHz range, the proposed sensor offers high sensitivity, stability, and ease of integration. This breakthrough SRR design demonstrates strong potential for enhancing wound management by enabling efficient, real-time, and precise moisture monitoring.

介绍了一种用于无创创面敷料水分监测的紧凑型单负极（SNG）裂环谐振器（SRR）超材料传感器。该传感器是在罗杰斯RT5880衬底（r=2.2, tanδ=0.009）上制造的，仅占用25×20mm2，并在2.0-2.8 GHz频段内可靠地工作，在2.43 GHz时显示出尖锐的- 28 dB传输陷波。通过利用负（ENG, ε <0）行为，该设计实现了强电磁场约束和98.8 a /m的高表面电流密度，与传统的SRR/CSRR传感器相比，具有更高的灵敏度和共振选择性。通过模拟和实验验证了传感器的性能，在干燥和浸泡条件下使用五种伤口敷料：(i)棉纱布，（ii）水胶体，（iii）聚氨酯，（iv）海藻酸盐和(v)水凝胶。当有效介电常数从0.2（干）增加到18.0（20%血浓度）时，共振频率从2.43 GHz增加到1.70 GHz，总位移为0.73 GHz。这产生了归一化敏感性，范围从5%血浓度时的10.3%到20%血浓度时的30.0%，斜率敏感性在10%血浓度时达到4.1%/ /。重要的是，该传感器在所有负载条件下都保持了30以上的q因子，证实了其稳健性和测量可靠性。该传感器工作在2.0-2.8 GHz范围内，具有高灵敏度、稳定性和易于集成的特点。这种突破性的SRR设计通过实现高效、实时和精确的湿度监测，展示了加强伤口管理的强大潜力。

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引用次数: 0

Nanofibrous aerogels derived from electrospinning of PAN/UiO-66-NH2 for sound and thermal insulation PAN/UiO-66-NH2静电纺丝制备的纳米纤维气凝胶用于隔音和隔热

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-08 DOI: 10.1016/j.jsamd.2025.101045

Hamidreza Younesi , Majid Askari Sayar , Seyed Reza Nabavi , Saeid Nickabadi , Hossein Rostami

In general, porous materials make excellent choices for heat insulation and sound absorption. However, the broad use of porous materials is hampered by their limited mechanical stability, poor uniformity of performance, and low sound absorption coefficient below 1000 Hz. The PAN/UiO-66-NH₂ aerogel, a novel aerogel with intricately designed hierarchical and complex porosity structures, was synthesized in this work. This construction efficiently blocks the passage of heat and absorbs low-frequency sound. At 750 Hz, the PAN/UiO-66-NH₂ material's sound absorption coefficient reached 0.97, while at 250, 500, 750, and 1000 Hz, it averages 0.72. Additionally, PAN/UiO-66-NH₂ has a thermal conductivity of 26.21 mW m⁻¹ K⁻¹, which can be compared to air. Notably, the PAN/UiO-66-NH₂ aerogels exhibit strong and reliable cycling performance. With a water contact angle of 132.8°, the hydrophobic material provides exceptional moisture resistance. The benefits suggest that the composite nanofiber aerogel be a suitable choice for absorbing sound, insulating buildings and cars from heat, and reducing reverberation indoors.

一般来说，多孔材料是隔热和吸声的绝佳选择。然而，多孔材料的机械稳定性有限，性能均匀性差，1000 Hz以下吸声系数低，阻碍了多孔材料的广泛应用。PAN/UiO-66-NH2气凝胶是一种具有复杂分层结构和孔隙结构的新型气凝胶。这种结构有效地阻挡了热量的通过并吸收了低频声音。在750 Hz时，PAN/UiO-66-NH2材料的吸声系数达到0.97，而在250、500、750和1000 Hz时，其吸声系数平均为0.72。此外，PAN/UiO-66-NH2的导热系数为26.21 mW m−1 K−1，与空气相当。值得注意的是，PAN/UiO-66-NH2气凝胶具有强大而可靠的循环性能。疏水材料的水接触角为132.8°，具有优异的防潮性能。这些优点表明，复合纳米纤维气凝胶是吸收声音、隔热建筑物和汽车以及减少室内混响的合适选择。

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引用次数: 0

Evaluation of combined pyroelectric/thermoelectric figures of merit in a novel nanocomposite KNNS-Bi2Te3 material 新型纳米复合KNNS-Bi2Te3材料的热释电/热电综合优值评价

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-08 DOI: 10.1016/j.jsamd.2025.101042

G. Resendiz-Hernandez , A. Hurtado-Macías , J.M. Yáñez-Limón , J. Alvarez-Quintana , J.E. Leal-Perez , O. Auciello , J. González-Hernández , R. Ramesh

Thermoelectric and pyroelectric materials exhibit top properties for technological applications in electronic, energy conversion, and heat dissipation devices. For the first time, a new equation combining the pyroelectric (F_v,sink) and thermoelectric (ZT) figures of merit is reported, which exhibits values of F_v,sink = 9.05 × 10⁵ V W⁻¹ and ZT = 0.48, respectively. The R&D reported in this article demonstrated the development of a new transformational nano-composite material based on K_0.5Na_0.5Nb_0.97Sb_0.03O₃ (KNNS)-Bi₂Te₃. This novel material exhibits combined pyroelectric and thermoelectric properties separately controlled by a common variable factor, i.e., temperature (T). The Seebeck coefficient of the KNNS-Bi₂Te₃ (50-50) wt% material is S = 1240 μV K⁻¹, far superior to the Seebeck coefficient S = 122 μV K⁻¹ of pure Bi₂Te₃; this increase in thermoelectric performance for the composite material KNNS-Bi₂Te₃ (50-50) wt% is due to the incorporation of the ferroelectric component KNNS. In addition, the Bi₂Te₃ component enables a relaxor effect on the nanocomposite (KNNS)-Bi₂Te₃. In summary, the developed nano-composite KNNS-Bi₂Te₃ (50-50) wt% represents a promising new material with a unique combination of pyroelectric/thermoelectric properties.

热电和热释电材料在电子、能量转换和散热设备的技术应用中表现出最高的性能。本文首次报道了热电（Fv）、汇（sink）和热电（ZT）两种参量相结合的新方程，其值分别为Fv、汇= 9.05 × 105 V W−1和ZT = 0.48。本文研究开发了一种基于k0.5 na0.5 nb0.97 sb0.030 o3 (KNNS)-Bi2Te3的新型相变纳米复合材料。这种新型材料表现出热释电和热电性质的结合，分别由一个共同的可变因素，即温度(T)控制。KNNS-Bi2Te3 (50-50) wt%材料的Seebeck系数为S = 1240 μV K−1，远优于纯Bi2Te3的Seebeck系数S = 122 μV K−1；复合材料KNNS- bi2te3热电性能（50-50）wt%的提高是由于铁电成分KNNS的加入。此外，Bi2Te3组分对纳米复合材料(KNNS)-Bi2Te3具有松弛效应。综上所述，所开发的纳米复合材料KNNS-Bi2Te3 (50-50) wt%代表了一种具有独特热释电/热电性能组合的新材料。

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引用次数: 0

Multifunctional PbO2-Based borate glasses: Tailoring mechanical, optical, and radiation shielding capabilities through composition control 多功能pbo2基硼酸盐玻璃：通过成分控制剪裁机械、光学和辐射屏蔽能力

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-06 DOI: 10.1016/j.jsamd.2025.101043

M.I. Sayyed , Shrikant Biradar , Mohammad Rashed Iqbal Faruque , Sabina Yasmin , Sabirin Abdullah , Sudha D. Kamath

This study synthesized four glasses using melt-quenching with the composition xPbO₂-(66-x)B₂O₃-22BaO-9CaO-3Y₂O₃ (x = 11, 14, 17, and 20 mol%) to evaluate their physical, mechanical, optical, and radiation shielding properties. Density and molecular weight rose from 4.312 to 4.800 g cm⁻³ and 110.155–125.418 g mol⁻¹ with increasing PbO₂, due to its higher atomic mass. Mechanical properties, Young's modulus (91.422–81.473 GPa) and micro-hardness (4.733–4.484 GPa), declined with PbO₂ addition, attributed to reduced bond strength and compactness. Optical band gaps (direct: 2.931–2.849 eV, indirect: 2.478–2.296 eV) decreased up to 17 mol% PbO₂, while Urbach energy rose from 0.347 to 0.414 eV, indicating more non-bridging oxygens. Refractive index increased (2.558–2.668), and Metallization values dropped (0.351–0.329), suggesting a reduced insulating nature. Radiation shielding was evaluated in the energy range of 0.015–15 MeV using Phy-X software. Pb20Y3 showed superior shielding due to the highest PbO₂. LAC at 0.015 MeV rose from 186.392 to 261.730 cm⁻¹; HVL at 1 MeV dropped from 2.557 to 2.252 cm; TVL at 0.4 MeV reduced from 4.048 to 3.243 cm. Z_eff peaked at 63.28 for Pb20Y3 at 0.015 MeV. Compared to other glass systems, the prepared glasses exhibited enhanced shielding, highlighting the potential of PbO₂-rich glasses for optical and radiation protection applications.

本研究采用熔体淬火的方法合成了四种玻璃，其组成为xPbO2-(66-x)B2O3-22BaO-9CaO-3Y2O3 (x = 11,14,17和20 mol%)，以评估它们的物理、机械、光学和辐射屏蔽性能。随着PbO2的增加，密度和分子量从4.312增加到4.800 g cm−3，从110.155增加到125.418 g mol−1。力学性能、杨氏模量（91.422 ~ 81.473 GPa）和显微硬度（4.733 ~ 4.484 GPa）随着PbO2的加入而下降，这是由于粘结强度和致密性的降低。光学带隙（直接带隙：2.931 ~ 2.849 eV，间接带隙：2.478 ~ 2.296 eV）减小到17 mol% PbO2，而Urbach能量从0.347 eV增加到0.414 eV，表明非桥接氧增加。折射率增加（2.558 ~ 2.668），金属化值下降（0.351 ~ 0.329），表明绝缘性降低。利用Phy-X软件对0.015 ~ 15 MeV能量范围内的辐射屏蔽性能进行了评价。由于PbO2含量最高，Pb20Y3具有较好的屏蔽性能。0.015 MeV时LAC由186.392上升至261.730 cm−1；1 MeV时HVL由2.557 cm降至2.252 cm；在0.4 MeV下的TVL从4.048降低到3.243 cm。Pb20Y3在0.015 MeV时Zeff峰值为63.28。与其他玻璃系统相比，制备的玻璃具有增强的屏蔽作用，突出了富pbo2玻璃在光学和辐射防护方面的应用潜力。

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引用次数: 0

Formation mechanism of hydroxylamine-nitrate-based electrically controlled solid propellant: A DFT analysis 硝酸羟胺基电控固体推进剂的形成机理：DFT分析

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-01 DOI: 10.1016/j.jsamd.2025.101038

Men Li, Xinbao Gao, Tianpeng Li

Infrared spectroscopic analysis was conducted to determine the formation mechanism of hydroxylamine nitrate (HAN)-based electrically controlled solid propellant (ECSP). Results indicated that chemical crosslinking occurs between HB and PVA by forming a borate ester bond, while physical crosslinking arises from hydrogen bonding among PVA, HAN, HB, and H₂O. The analysis was carried out from chemical and physical crosslinking perspectives, employing various Density Functional Theory (DFT) analytical methods. These methods included reaction barrier calculations, Electrostatic Potential (ESP) analysis, hydrogen bond binding energy calculations, Atoms-in-molecules (AIM) analysis, Electron Density Difference (EDD) analysis, and charge transfer calculations. Results indicate that chemical crosslinking mainly occurs through a generalized acid–base reaction between boric acid (HB) and polyvinyl alcohol (PVA), with an activation barrier of 55.303 kJ/mol. Physical crosslinking is governed by hydrogen bonding between PVA and the small molecules HB, NO₃⁻, NH₃OH⁺, and H₂O. Moderate hydrogen bonds are formed with HB (−7.909 kcal/mol) and H₂O (−6.559 kcal/mol), while stronger hydrogen bonds are established with NO₃⁻ (−11.677 kcal/mol) and NH₃OH⁺ (−21.563 kcal/mol). EDD analysis reveals enhanced electron density at the PVA–molecule interfaces, and charge-transfer calculations confirm partial charge delocalization, thereby corroborating the presence of hydrogen-bond interactions.

对硝酸羟胺（HAN）基电控固体推进剂（ECSP）的形成机理进行了红外光谱分析。结果表明，HB和PVA之间通过硼酸酯键形成化学交联，而PVA、HAN、HB和H2O之间通过氢键形成物理交联。采用密度泛函理论（DFT）分析方法，从化学和物理交联的角度进行了分析。这些方法包括反应势垒计算、静电势（ESP）分析、氢键结合能计算、分子中原子（AIM）分析、电子密度差（EDD）分析和电荷转移计算。结果表明：化学交联主要通过硼酸（HB）与聚乙烯醇（PVA）的广义酸碱反应发生，激活势垒为55.303 kJ/mol；物理交联是由PVA与小分子HB、NO3−、NH3OH+和H2O之间的氢键控制的。与HB（−7.909 kcal/mol）和H2O（−6.559 kcal/mol）形成中等氢键，与NO3−(−11.677 kcal/mol)和NH3OH+(−21.563 kcal/mol)形成较强的氢键。EDD分析显示pva -分子界面的电子密度增强，电荷转移计算证实了部分电荷离域，从而证实了氢键相互作用的存在。

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引用次数: 0

Sol–gel TiO2–SiO2 mixed oxides as dual-functional photocatalytic and Bioactive materials 溶胶-凝胶TiO2-SiO2混合氧化物作为双功能光催化和生物活性材料

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-01 DOI: 10.1016/j.jsamd.2025.101037

Muhammad Yaseen , Zafar A.K. Khattak , Shaista Bibi , Khadija Khalid , Zeban Shah , Muhammad Ibrahim , Abbas Khan , Sajjad Ahmad , Seemab Pervaiz , Nargis Khan , Muhammad Nisar

Nanomaterials exhibit enhanced mechanical, electrochemical, electrical, catalytic, thermal, and optical properties relative to their individual nanoscale components. The TiO₂–SiO₂ composite was prepared through a sol–gel process involving TTIP (0.0101 mol) and TEOS (0.0224 mol). The resulting TiO₂ and SiO₂ sols were mixed in a 1:1 ratio to form the TiO₂–SiO₂ mixed oxide. The synthesized nanomaterial was characterized by state-of-the-art techniques to analyze various physicochemical properties of the TiO₂–SiO₂ composite. UV–Vis was utilized to investigate electronic excitation behaviors. SEM provided insights into the surface morphology and structural features of TiO₂–SiO₂ material, while EDX confirmed the elemental composition, including the presence of titanium (Ti), silicon (Si), and oxygen (O). FT-IR was conducted to identify functional groups, revealing characteristic bands corresponding to Ti–O, Ti–OH, O–H, Si–O, and Si–OH groups. Additionally, DSC and TGA were employed to examine thermal behavior, indicating heat flow transitions and mass loss patterns as a function of temperature. Similarly, to study the point of zero charge (pH_pzc) Rhodamine B (RhB) and Methylene Blue (MB) dye solutions were adjusted to different pH levels using 0.1 M HCl and 0.1 M NaOH, while maintaining constant experimental conditions and the pH_pzc was found to be 6.4 for the composite. The catalytic and photocatalytic performances of the synthesized nanocomposite were evaluated through the degradation of Methylene Blue (MB) and Rhodamine B (RhB) dyes under light irradiation. The results demonstrated photocatalytic degradation efficiencies of approximately 92 % for RhB within 6 h and 70 % for MB within 5 h. In addition, the nanocomposite was evaluated for its biological activities, including α-glucosidase inhibition, and cytotoxicity (using human red blood cells, HRBCs). The results revealed a clear concentration-dependent trend, where all assessed biological activities increased with higher nanocomposite concentrations.

纳米材料表现出增强的机械、电化学、电学、催化、热学和光学性质相对于其单个纳米级组件。以TTIP （0.0101 mol）和TEOS （0.0224 mol）为原料，采用溶胶-凝胶法制备TiO2-SiO2复合材料。将得到的TiO2和SiO2溶胶以1:1的比例混合，形成TiO2 - SiO2混合氧化物。采用最先进的技术对合成的纳米材料进行了表征，分析了TiO2-SiO2复合材料的各种物理化学性质。利用紫外-可见光谱研究电子激发行为。SEM提供了对TiO2-SiO2材料表面形貌和结构特征的深入了解，而EDX证实了元素组成，包括钛（Ti），硅（Si）和氧(O)的存在。利用FT-IR对官能团进行鉴定，发现了Ti-O、Ti-OH、O-H、Si-O和Si-OH基团对应的特征波段。此外，采用DSC和TGA来检查热行为，表明热流转变和质量损失模式是温度的函数。同样，为了研究零电荷点（pHpzc），在保持实验条件不变的情况下，将罗丹明B （RhB）和亚甲基蓝（MB）染料溶液分别用0.1 M HCl和0.1 M NaOH调节到不同的pH水平，得到复合材料的pHpzc为6.4。通过光照射降解亚甲基蓝（MB）和罗丹明B （RhB）染料，考察了合成的纳米复合材料的催化和光催化性能。结果表明，在6小时内光催化降解RhB的效率约为92%，在5小时内降解MB的效率约为70%。此外，纳米复合材料还评估了其生物活性，包括α-葡萄糖苷酶抑制和细胞毒性（使用人红细胞，hrbc）。结果显示出明显的浓度依赖趋势，所有被评估的生物活性都随着纳米复合材料浓度的增加而增加。

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引用次数: 0

Imidazolium-based ionic liquid assisted poly(vinyl) alcohol-based solid polymer electrolyte for high energy sodium-ion electric double layer capacitors 咪唑基离子液体辅助聚乙烯醇基固体聚合物电解质用于高能钠离子双层电电容器

IF 6.8 3区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of Science: Advanced Materials and Devices

Pub Date : 2025-11-01 DOI: 10.1016/j.jsamd.2025.101039

Jacky Yong , Agus Purwanto , W.L. Ho , Mayeen Uddin Khandaker , Shujahadeen B. Aziz , Sambasivam Sangaraju , Haw Jiunn Woo

High-performance solid-state electrolytes are essential for next-generation safe and efficient energy storage systems. In this study, a novel solid polymer electrolyte (SPE) was developed using polyvinyl alcohol (PVA) as the host polymer, sodium hexafluorophosphate (NaPF₆) as the sodium salt, and 1-ethyl-3-methylimidazolium tetrafluoroborate (EMIMBF₄) as the ionic liquid for electric double-layer capacitor (EDLC) applications. The addition of EMIMBF₄ reduced PVA crystallinity from 27 % to 19 %, enhancing the amorphous phase and ion transport. The optimized composition containing 33.33 wt% (0.5 g) EMIMBF₄ achieved the highest ionic conductivity of 2.37 × 10⁻⁴ S/cm at room temperature. The corresponding EDLC delivered a specific capacitance of 31.7 F/g at 0.1 mA/cm² over 1000 cycles, with an energy density of 17.6 Wh/kg and a power density of 829.1 W/kg. These results demonstrate the strong potential of the PVA–NaPF₆–EMIMBF₄ system for high-performance, solid-state supercapacitors.

高性能固态电解质对于下一代安全高效的储能系统至关重要。本研究以聚乙烯醇（PVA）为主体聚合物，六氟磷酸钠（NaPF6）为钠盐，1-乙基-3-甲基咪唑四氟硼酸钠（EMIMBF4）为离子液体，开发了一种新型固体聚合物电解质（SPE），用于电双层电容器（EDLC）的应用。EMIMBF4的加入使PVA结晶度从27%降低到19%，增强了非晶相和离子输运。在室温下，EMIMBF4含量为33.33 wt% （0.5 g）的优化组合物的离子电导率最高，为2.37 × 10−4 S/cm。在0.1 mA/cm2下，经过1000次循环，EDLC的比电容为31.7 F/g，能量密度为17.6 Wh/kg，功率密度为829.1 W/kg。这些结果表明PVA-NaPF6-EMIMBF4系统在高性能固态超级电容器方面具有强大的潜力。

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引用次数: 0