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Synthesis of boron-carbide aerogels 碳化硼气凝胶的合成
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-03-04 DOI: 10.1007/s10971-026-07113-3
Swetha Chandrasekaran, Bruce Yang, Alyssa Troksa, Marcus Worsley

We present the synthesis of boron carbide aerogels utilizing nano-boron powder and resorcinol–formaldehyde (RF) organic aerogels as precursors. Monolithic aerogels were fabricated from suspensions of boron nanoparticles and RF via an organic sol-gel process, enabling effective distribution of boron in the gel network. The resulting gels underwent supercritical drying, thermal reduction, and subsequent heat treatment to yield boron carbide aerogels with densities ranging from 37 to 55 mg/cm³. By tuning the boron-to-carbon ratio, heat treatment temperature, and dwell time, surface areas up to 53 m²/g were obtained. X-ray diffraction analysis confirmed the formation of the boron carbide phase and detected the presence of residual carbon within the structure.

Graphical Abstract

以纳米硼粉和间苯二酚甲醛(RF)有机气凝胶为前驱体合成碳化硼气凝胶。通过有机溶胶-凝胶工艺,将硼纳米颗粒和RF悬浮液制成整体气凝胶,使硼在凝胶网络中有效分布。所得凝胶经过超临界干燥、热还原和随后的热处理,得到密度在37至55 mg/cm³之间的碳化硼气凝胶。通过调整硼碳比、热处理温度和停留时间,获得了高达53 m²/g的表面积。x射线衍射分析证实了碳化硼相的形成,并检测到结构内存在残余碳。图形抽象
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引用次数: 0
Boosting photodegradation performance through efficient MnO2/rGO nanocomposite: water remediation application 通过高效MnO2/rGO纳米复合材料提高光降解性能:水修复应用
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-26 DOI: 10.1007/s10971-025-07093-w
Natesan Kandasamy, Paramasivam Shanmugam, Balaji Parasuraman, Govindasami Periyasami, Supakorn Boonyuen, Pazhanivel Thangavelu, K. L. Palanisamy, P. Thangarasu

Water pollution caused by organic dyes poses a significant environmental challenge, necessitating the development of efficient and sustainable photocatalysts for wastewater treatment. In this present investigation, MnO2/rGO nanocomposites were prepared using a straightforward one-step microwave-assisted method. The synthesized nanocomposite underwent various analyses, including Fourier transform infrared spectroscopy (FTIR), powder X-ray diffraction (XRD), UV–Vis spectroscopy (UV), as well as scanning electron microscopy (SEM) and transmission electron microscopy (TEM) to assess its physical, structural, and morphological characteristics. The physiochemical results confirmed the successful formation of the MnO2/rGO nanocomposite, with SEM results revealing a nanocomposite size ranging from 10–20 nm. In assessing the photocatalytic activity of the prepared samples, the degradation of rhodamine-B dye (RhB) was examined under visible light irradiation for 150 min. The MnO2/rGO nanocomposite exhibited superior photocatalytic activity compared to the pristine sample. Furthermore, a detailed exploration of the photocatalytic degradation mechanism and material stability was conducted. This study provides promising insights into the development of efficient MnO2/rGO-based photocatalysts for the effective removal of organic pollutants from contaminated water.

Graphical Abstract

有机染料引起的水污染是一个重大的环境挑战,需要开发高效、可持续的光催化剂来处理废水。在本研究中,采用微波辅助一步法制备了二氧化锰/氧化石墨烯纳米复合材料。对合成的纳米复合材料进行了各种分析,包括傅里叶变换红外光谱(FTIR)、粉末x射线衍射(XRD)、紫外可见光谱(UV)、扫描电子显微镜(SEM)和透射电子显微镜(TEM),以评估其物理、结构和形态特征。理化结果证实了MnO2/rGO纳米复合材料的成功形成,SEM结果显示纳米复合材料的尺寸在10-20 nm之间。为了评估所制备样品的光催化活性,在可见光照射150 min下检测了罗丹明- b染料(RhB)的降解情况。与原始样品相比,MnO2/rGO纳米复合材料表现出优异的光催化活性。此外,还对光催化降解机理和材料稳定性进行了详细的探讨。该研究为开发高效MnO2/ rgo光催化剂以有效去除污染水中的有机污染物提供了有希望的见解。图形抽象
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引用次数: 0
Designing a robust silane/polyaniline/Ni tri-layer coating for superior corrosion resistance of AZ91 magnesium alloy 为提高AZ91镁合金的耐腐蚀性能,设计了一种坚固耐用的硅烷/聚苯胺/Ni三层涂层
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-23 DOI: 10.1007/s10971-026-07106-2
Ali B. M. Ali, Mohammed Al-Bahrani, M. M. Rekha, Subhashree Ray, Kattela Chennakesavulu, Renu Sharm, Bekzod Matyakubov, Sardor Sabirov, Aseel Smerat, Abdul Saddique Shaik, Saiful Islam

Magnesium alloys, particularly AZ91, are widely used in industries such as aerospace, automotive, and electronics due to their lightweight and high-strength properties. However, their susceptibility to corrosion limits their application in harsh environments. This study presents the development of a novel tri-layer coating composed of nickel (Ni), polyaniline (PANI), and a silane-based sol-gel layer to enhance the corrosion resistance of AZ91 magnesium alloy. The Ni layer provides a robust foundation, while the PANI coating, with its coral-like porous structure, improves adhesion and corrosion resistance. The top silane layer, formed from tetraethylorthosilicate (TEOS) and vinyltriethoxysilane (VTES) by a sol-gel method, offers a smooth, hydrophobic surface that significantly enhances corrosion protection. A range of characterization techniques, including field emission scanning electron microscopy (FE-SEM), atomic force microscopy (AFM), X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR), were applied to analyze the microstructure, surface morphology, and chemical composition of the coatings. The electrochemical performance of the coating was evaluated through electrochemical impedance spectroscopy (EIS) in a 3.5% NaCl solution, revealing a remarkable enhancement in corrosion resistance (86.9 kΩ cm2) compared to bare Mg alloy (0.2 kΩ cm2). Notably, the coating exhibited a corrosion resistance of 12.1 kΩ cm2 after 168 h of exposure, still much higher than that of bare Mg, highlighting its long-term protective capacity. The synergistic effects of the Ni, PANI, and silane components were found to be crucial in improving the overall resistance to corrosion. This tri-layer coating presents a promising solution for enhancing the longevity and performance of magnesium alloys in industrial applications.

镁合金,特别是AZ91,由于其轻质和高强度的特性,被广泛应用于航空航天,汽车和电子等行业。然而,它们对腐蚀的敏感性限制了它们在恶劣环境中的应用。本文研究了一种由镍(Ni)、聚苯胺(PANI)和硅烷基溶胶-凝胶层组成的新型三层涂层,以提高AZ91镁合金的耐腐蚀性。镍层提供了一个坚固的基础,而聚苯胺涂层,其珊瑚状的多孔结构,提高附着力和耐腐蚀性。顶部硅烷层由四乙硅酸盐(TEOS)和乙烯基三乙氧基硅烷(VTES)通过溶胶-凝胶法形成,具有光滑的疏水表面,显著增强了防腐能力。采用一系列表征技术,包括场发射扫描电镜(FE-SEM)、原子力显微镜(AFM)、x射线衍射(XRD)和傅里叶变换红外光谱(FT-IR),分析了涂层的微观结构、表面形貌和化学成分。通过电化学阻抗谱(EIS)对涂层在3.5% NaCl溶液中的电化学性能进行了评价,结果表明,与裸露的镁合金(0.2 kΩ cm2)相比,涂层的耐蚀性显著提高(86.9 kΩ cm2)。值得注意的是,在暴露168 h后,涂层的耐蚀性为12.1 kΩ cm2,仍然远高于裸Mg,表明其具有长期保护能力。研究发现,Ni、聚苯胺和硅烷组分的协同效应对提高整体耐腐蚀性至关重要。在工业应用中,这种三层涂层为提高镁合金的使用寿命和性能提供了一种很有前途的解决方案。
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引用次数: 0
Substrate-induced thermal residual stress and its influence on the structural, optical and electrical properties of n-CeO2 thin film junctions 衬底诱导的热残余应力及其对n-CeO2薄膜结结构、光学和电学性能的影响
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-23 DOI: 10.1007/s10971-026-07126-y
Muhammad Shahid, Khuram Ali, Han Li, Malik Abdul Manan, Muhammad Haseeb, Muneer Ahmad, Adnan Waqas

CeO2 is one of a key functional material to deposit on different substrates for fabrication of solar cells, fuel cells, and other energy storage applications. The impact of substrate-induced stress on the performance of CeO2 thin films remains poorly understood. This study investigates the deposition of CeO2 on three different substrates p-type silicon (p-Si), fluorine-doped tin oxide (n-FTO), and neutral glass followed by Finite Element Analysis (FEA) for mapping residual stress. The charge carrier separation and recombination at the interfaces between CeO2 and these substrates were analyzed using X-ray diffraction (XRD), ultraviolet-visible (UV), and current-voltage (IV) characteristics. The films were prepared using sol-gel-derived CeO2 precursors and thermal evaporation, followed by microwave treatment to enhance interfacial charge separation and to suppress recombination. Substrate-dependent microstructural and electronic responses were probed; XRD analysis revealed micro-strain values ranging from 1.6 × 10−1 to 2.3 × 10−1 for CeO2/p-Si, with larger strain on CeO2/n-FTO, directly correlated with interfacial defect density and lattice distortion. Additionally, the resistivity of the CeO2/p-Si junction was 9.95 times lower than that of CeO2/n-FTO and 7.87 times lower than CeO2/neutral glass, demonstrating that interfacial charge transport is strongly governed by the underlying substrate. Finite element simulations revealed distinct residual stress profiles 2.67 × 102 MPa for neutral glass, 1.22 × 102 MPa for n-FTO, and 9.49 × 102 MPa for p-Si, correlating with experimental micro strain, conductive, and optical behavior. The results highlight the importance of charge carrier behavior at the substrate interfaces and suggest the potential of CeO2 based junctions for future energy-related applications.

Graphical Abstract

CeO2是沉积在不同基底上的关键功能材料之一,用于制造太阳能电池、燃料电池和其他储能应用。衬底诱导应力对CeO2薄膜性能的影响尚不清楚。本研究研究了CeO2在p型硅(p-Si)、掺氟氧化锡(n-FTO)和中性玻璃三种不同衬底上的沉积,并进行了有限元分析(FEA)以绘制残余应力。利用x射线衍射(XRD)、紫外-可见(UV)和电流-电压(IV)特性分析了CeO2与这些衬底界面上载流子的分离和重组。采用溶胶-凝胶法制备CeO2前驱体和热蒸发法制备薄膜,然后进行微波处理以增强界面电荷分离和抑制复合。研究了衬底相关的微观结构和电子响应;XRD分析表明,CeO2/p-Si的微应变值为1.6 × 10−1 ~ 2.3 × 10−1,CeO2/n-FTO的微应变较大,与界面缺陷密度和晶格畸变直接相关。此外,CeO2/p-Si结的电阻率比CeO2/n-FTO低9.95倍,比CeO2/中性玻璃低7.87倍,表明界面电荷输运受到衬底的强烈控制。有限元模拟显示,中性玻璃、n-FTO和p-Si的残余应力分布不同,分别为2.67 × 102 MPa、1.22 × 102 MPa和9.49 × 102 MPa,与实验微应变、导电和光学行为相关。研究结果强调了衬底界面电荷载流子行为的重要性,并表明CeO2基结在未来能源相关应用中的潜力。图形抽象
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引用次数: 0
Enhancing thermoelectric performance of Ca3Co4O9+δ oxide ceramics through lithium doping 锂掺杂提高Ca3Co4O9+δ氧化物陶瓷热电性能
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-23 DOI: 10.1007/s10971-026-07118-y
Yazid Boudjadja, Yazid Bouznit, Nevin Soylu Koc, Sevgi Polat Altintas

Misfit-layered calcium cobaltite Ca3-xLixCo4O9+δ (x = 0, 0.1, 0.2 and 0.3) were prepared by the sol-gel route, and the resulting samples were systematically investigated in terms of their phase composition, microstructure, electrical and thermal transport properties. The experimental results revealed that all the samples consisted of the Ca3Co4O9+δ phase and traces of the Ca3Co2O6+δ secondary phase. The chemical composition of the polycrystalline samples was found to be close to the nominal composition, and a characteristic plate-like grain morphology with a high density of grain boundaries was observed. Lithium doping reduced thermal conductivity by 20% (0.81 W/(m.K)) at 300 K for x = 0.3) and yielded the highest thermopower (0.167 mV/K) with a power factor of 0.239 mW/(m⋅K2). An impressive figure of merit value of 0.07 was achieved at room temperature, which was further improved by about 25% compared to the undoped sample.

采用溶胶-凝胶法制备了misfit层状钴酸钙Ca3-xLixCo4O9+δ (x = 0、0.1、0.2和0.3),并对样品的相组成、微观结构、电学和热输运性能进行了系统的研究。实验结果表明,所有样品均由Ca3Co4O9+δ相和微量Ca3Co2O6+δ次级相组成。发现多晶样品的化学成分与标称成分接近,并观察到具有高密度晶界的片状晶粒形貌。在300 K时,当x = 0.3时,锂掺杂使热导率降低20% (0.81 W/(m.K)),产生最高的热功率(0.167 mV/K),功率因数为0.239 mW/(m⋅K2)。在室温下获得了令人印象深刻的0.07的品质值,与未掺杂的样品相比,进一步提高了约25%。
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引用次数: 0
A first principles calculations to analysis of ferromagnetic stability in 2-dimensional layered structure M-doped MXene Ti3C2 (M=Fe, Mn, Ni) for solar cell application 用第一性原理计算分析了二维层状结构M掺杂MXene Ti3C2 (M=Fe, Mn, Ni)在太阳能电池中的铁磁稳定性
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-23 DOI: 10.1007/s10971-026-07121-3
Muhammad Hasnain Jameel, Jia Luo, Aqeela Yaseen, Samreen Kousar, Hongyan Wang, Mohd Zul Hilmi Bin Mayzan, Khaled Althubeiti, Mohammed Aljohani

MXenes, specifically MXene ({{Ti}}_{3}{C}_{2}), are an emerging class of two-dimensional transition metal carbides that have obtained significant attention due to their versatile properties and potential applications through the surface functionalization approach. The surface functionalization of MXenes offers immense possibilities to tailor their properties for a wide range of applications, making them highly flexible materials for next-generation technologies. The current study, using first-principles calculations, has explored the surface decoration of ({{Ti}}_{3}{C}_{2}) MXene with transition magnetic metals (Fe, Mn, and Ni) to influence their optical, electrical, and magnetic properties. Energy band structures and associated density of states result confirmed that peaks of the d-orbital dominate the electronic states in the Fe, Mn, and Ni-({{Ti}}_{3}{C}_{2}) composite. More interestingly, the optical absorption coefficient within ultraviolet and visible infrared regions may be significantly increased by surface decorating with transition magnetic metals Fe, Mn, and Ni-({{Ti}}_{3}{C}_{2}) composite. The remarkably improved optical absorption characteristics over a broad-spectral range may be attributed to the enlargement of the interlamellar space along with more active sites and more electronic mobility. The ferromagnetic simulated results revealed that pristine ({{Ti}}_{3}{C}_{2}) MXene and Ni-({{Ti}}_{3}{C}_{2}) and ({rm{Fe}}-{{Ti}}_{3}{C}_{2}) composites are stable and have magnetic moments of 2.10 µB and 3.04 µB, respectively, and confirmed that Fe, Mn, and ({rm{Ni}}-{{Ti}}_{3}{C}_{2}) composite is a soft ferromagnetic material. The doped MXene demonstrated a good improvement in ferromagnetic performance as compared to the ({{Ti}}_{3}{C}_{2}) MXene. These results suggest that 2D M-depoed Ti3C2 MXene (M=Fe, Mn, Ni) materials are superior for solar cell and spintronic device applications.

MXenes,特别是MXene ({{Ti}}_{3}{C}_{2}),是一类新兴的二维过渡金属碳化物,由于其多功能特性和通过表面功能化方法的潜在应用而获得了极大的关注。MXenes的表面功能化提供了巨大的可能性,可以为广泛的应用定制其特性,使其成为下一代技术的高度柔性材料。目前的研究,使用第一性原理计算,探索了({{Ti}}_{3}{C}_{2}) MXene的表面装饰与过渡磁性金属(Fe, Mn和Ni),以影响其光学,电学和磁性能。能带结构和相关态密度的结果证实,在Fe, Mn和Ni- ({{Ti}}_{3}{C}_{2})复合材料中,d轨道的峰主导电子态。更有趣的是,用过渡磁性金属Fe, Mn和Ni- ({{Ti}}_{3}{C}_{2})复合材料进行表面修饰可以显著提高紫外和可见红外区的光学吸收系数。在广谱范围内显著改善的光吸收特性可能是由于层间空间的扩大以及活性位点的增加和电子迁移率的提高。铁磁模拟结果表明,原始的({{Ti}}_{3}{C}_{2}) MXene和Ni- ({{Ti}}_{3}{C}_{2})、({rm{Fe}}-{{Ti}}_{3}{C}_{2})复合材料是稳定的,磁矩分别为2.10µB和3.04µB,证实了Fe、Mn、({rm{Ni}}-{{Ti}}_{3}{C}_{2})复合材料是软铁磁材料。与({{Ti}}_{3}{C}_{2}) MXene相比,掺杂MXene的铁磁性能得到了很好的改善。这些结果表明,二维M沉积Ti3C2 MXene (M=Fe, Mn, Ni)材料在太阳能电池和自旋电子器件应用方面具有优势。
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引用次数: 0
Microwave analysis of Ti-doped ZnAl2O4 and Mg-Co-doped variants ti掺杂ZnAl2O4和mg共掺杂ZnAl2O4的微波分析
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-21 DOI: 10.1007/s10971-026-07112-4
Srilali Siragam

This study investigates zinc aluminate (ZnAl2O4, denoted as Z)-based microwave dielectric ceramics (MDCs) tailored for wireless communication applications, with an emphasis on microstrip patch antenna performance. Titanium doping (ZT) and co-doping with magnesium (ZTM) were employed to enhance essential dielectric parameters, including a near-zero temperature coefficient of resonant frequency (τf ≈ 0), moderate relative permittivity (εr < 20), and low dielectric loss. The synthesized ZT sample demonstrated a relative permittivity (εr) of 13.49 and dielectric loss (tanδ) of 0.39, while the ZTM composite exhibited εr = 14.57 and tanδ = 0.158. Antenna prototypes fabricated using these materials showed excellent return losses of –25.96 dB (ZT) and –16.89 dB (ZTM) at an operating frequency of 2.19 GHz, with voltage standing wave ratios (VSWR) below 2, confirming efficient impedance matching. These results position ZnAl2O4-based MDCs as promising dielectric candidates for S-band microwave and wireless communication systems.

本研究研究了为无线通信应用量身定制的铝酸锌(ZnAl2O4,记为Z)基微波介质陶瓷(MDCs),重点研究了微带贴片天线的性能。采用钛掺杂(ZT)和镁共掺杂(ZTM)提高了基本的介电参数,包括谐振频率的近零温度系数(τf≈0)、适度的相对介电常数(εr < 20)和较低的介电损耗。合成的ZT样品的相对介电常数(εr)为13.49,介电损耗(tanδ)为0.39,而ZTM复合材料的εr = 14.57, tanδ = 0.158。使用这些材料制作的天线原型在2.19 GHz工作频率下,回波损耗为-25.96 dB (ZT)和-16.89 dB (ZTM),电压驻波比(VSWR)低于2,证实了有效的阻抗匹配。这些结果表明,基于znal2o4的MDCs是s波段微波和无线通信系统中有前途的介电候选者。
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引用次数: 0
Effect of calcination temperature on the bioactivity of a sol-gel-derived 40CaO-60B₂O₃ glass composition 煅烧温度对溶胶-凝胶衍生的40CaO-60B₂O₃玻璃组合物生物活性的影响
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-21 DOI: 10.1007/s10971-026-07114-2
Kenta Katsumi, Zhiqiu Ye, Pierre Hudon, Showan N. Nazhat

Sol-gel-derived borate glasses are highly bioactive where they demonstrate rapid production of hydroxycarbonated apatite (HCA), in vitro; making them promising candidates for biomedical applications. Calcination, a critical step in sol-gel processing, significantly influences product properties. This study investigated the effect of calcination temperature on the texture, structure, as well as the reactivity and bioactive properties of sol-gel-derived 40CaO-60B₂O₃ (mol%) samples synthesized from calcium lactate pentahydrate. X-ray diffraction (XRD) confirmed that samples calcined between 400 and 600 °C were amorphous, whereas crystallization occurred when samples were calcined at 700 °C. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy revealed a decrease in BO4 units with increasing calcination temperature. There was a decrease in specific surface area, attributable to reduced network connectivity and densification, which correlated with a decrease in vapor reactivity, as indicated by dynamic vapor sorption analysis. Bioactivity was confirmed by HCA formation within 7 days in simulated body fluid in all calcined samples, as characterized by ATR-FTIR, XRD, and scanning electron microscopy. In particular, samples calcined at 400 and 500 °C exhibited HCA formation within 1 day. Thermogravimetric analysis revealed that the sample calcined at 400 °C contained the highest amount of organic residues from sol-gel processing. In contrast, the sample calcined at 500 °C combined high bioactivity with optimal thermal decomposition, indicating that this calcination temperature may be suitable for this glass composition. In summary, the successful use of calcium lactate pentahydrate as a low-cost precursor highlights its scalability and potential for producing high-performance sol-gel-derived bioactive borate glasses.

溶胶-凝胶衍生的硼酸盐玻璃具有高度的生物活性,在体外可以快速生成羟基碳酸盐磷灰石(HCA);使它们成为生物医学应用的有希望的候选者。煅烧是溶胶-凝胶加工的关键步骤,对产品性能有重要影响。研究了煅烧温度对五水乳酸钙溶胶-凝胶法制备的40CaO-60B₂O₃(mol%)样品的织构、结构、反应性和生物活性的影响。x射线衍射(XRD)证实,在400 ~ 600℃之间煅烧的样品是无定形的,而在700℃煅烧的样品则发生结晶。衰减全反射-傅里叶变换红外光谱(ATR-FTIR)显示,随着煅烧温度的升高,BO4单元减少。动态蒸汽吸附分析表明,由于网络连通性降低和致密化,比表面积减小,这与蒸汽反应性降低相关。通过ATR-FTIR、XRD和扫描电镜对所有煅烧样品在模拟体液中7天内形成的HCA进行表征,证实了生物活性。特别是,在400和500°C下煅烧的样品在1天内形成了HCA。热重分析表明,在400°C下煅烧的样品中含有最多的溶胶-凝胶处理的有机残留物。相比之下,在500°C下煅烧的样品结合了高生物活性和最佳热分解,表明该煅烧温度可能适合该玻璃成分。总之,五水乳酸钙作为低成本前驱体的成功应用突出了其可扩展性和生产高性能溶胶-凝胶衍生生物活性硼酸盐玻璃的潜力。
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引用次数: 0
Performance enhancement of HTL free perovskite solar cells through ETL and back contact engineering 通过ETL和背触点工程提高HTL无钙钛矿太阳能电池的性能
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-18 DOI: 10.1007/s10971-025-07101-z
Amina Shafique, Uzma Amin, Ahmed Abu-Siada

Research on perovskite solar cells (PSCs) has surged due to their promising power conversion efficiency and low fabrication costs. However, the commercial viability of PSCs is hindered by the complex synthesis of the conventional hole transport layer (HTL), such as Spiro-OMeTAD, and the limitations of gold (Au), which is commonly used as a back contact. Specifically, Au tends to diffuse into the perovskite layer over time and react with halide ions, leading to device degradation and reduced long-term stability. In this study, a comprehensive simulation is conducted to evaluate the performance of PSCs with and without HTL, incorporating various metal back contacts. The impact of metal work functions on device performance is systematically investigated. Among the metals analysed, platinum (Pt) emerged as the optimal contact for both configurations due to its high work function and ability to form a stable interface. Focusing on HTL-free designs for structural simplicity, the study explored alternative electron transport layers (ETLs) to replace conventional titanium dioxide (TiO₂), which suffers from poor optoelectronic properties and ultraviolet instability. The performance of various inorganic ETLs, including CdZnS, WS₂, WO₃, ZnO, ZnOS, and ZnSe, is evaluated using SCAPS-1D simulation tool in a typical perovskite solar cell architecture. Among them, ZnOS emerged as the most promising ETL with an open-circuit voltage (Voc) of 1.22 V, a short-circuit current density (Jsc) of 27.62 mA/cm2, a fill factor (FF) of 83.86%, and a power conversion efficiency of 28.39% under optimised conditions. Additionally, an interface defect layer (IDL) of BiI₃ (Bismuth triiodide) is introduced to enhance the long-term device stability. With the IDL, the structure exhibits Voc of 1.13 V, Jsc of 28.88 mA/cm2, FF of 88.48%, and a power conversion efficiency of 28.78%. These findings highlight the potential of Pt-based, HTL-free PSCs for efficient and stable photovoltaic applications.

钙钛矿太阳能电池(PSCs)因其具有良好的能量转换效率和低廉的制造成本而受到广泛关注。然而,由于传统空穴传输层(HTL)(如Spiro-OMeTAD)的复杂合成,以及通常用作背触点的金(Au)的局限性,PSCs的商业可行性受到阻碍。具体来说,随着时间的推移,Au倾向于扩散到钙钛矿层中,并与卤化物离子发生反应,导致器件退化和长期稳定性降低。在本研究中,我们进行了全面的模拟,以评估带HTL和不带HTL的psc的性能,包括各种金属背触点。系统地研究了金属加工功能对器件性能的影响。在所分析的金属中,铂(Pt)由于其高功函数和形成稳定界面的能力而成为两种构型的最佳接触。该研究着眼于结构简单的无html设计,探索了替代电子传输层(etl)来取代传统的二氧化钛(TiO 2),后者具有较差的光电性能和紫外线不稳定性。在典型钙钛矿太阳能电池结构中,利用SCAPS-1D模拟工具对CdZnS、WS₂、WO₃、ZnO、ZnOS和ZnSe等无机ETLs的性能进行了评价。其中,ZnOS的开路电压(Voc)为1.22 V,短路电流密度(Jsc)为27.62 mA/cm2,填充系数(FF)为83.86%,优化条件下的功率转换效率为28.39%,是最有前途的ETL。此外,为了提高器件的长期稳定性,还引入了BiI₃(三碘化铋)的界面缺陷层(IDL)。在IDL下,该结构的Voc为1.13 V, Jsc为28.88 mA/cm2, FF为88.48%,功率转换效率为28.78%。这些发现突出了基于pt、无html的PSCs在高效、稳定的光伏应用中的潜力。
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引用次数: 0
Interfacial coupling-driven enhancement of capacitance in MnFe₂O₄/NiO nanocomposites synthesized via sol–gel auto-combustion 溶胶-凝胶自燃烧法合成MnFe₂O₄/NiO纳米复合材料中界面耦合驱动的电容增强
IF 3.2 4区 材料科学 Q2 MATERIALS SCIENCE, CERAMICS Pub Date : 2026-02-18 DOI: 10.1007/s10971-025-07094-9
Muhammad Amjad, Ismat Bibi, Munawar Iqbal, Shagufta Kamal, Ghulam Mustafa, Shazia Nouren, Babar Taj, Nosheen Nazar, Norah Alwadai, Arif Nazir

The development and optimization of high-performance electrode materials are crucial for the progress of next-generation supercapacitors (SCs). Extending our previous study in which pure manganese ferrite (MnFe₂O₄, MF), nickel oxide (NiO, NO) and MnFe₂O₄/NiO (MF/NO₁–₄) nanocomposites (NCs) were prepared by sol–gel auto-combustion technique and extensively studied for their structural, morphological, optical, magnetic and photocatalytic properties; the present study is aimed to further investigation on its electrochemical performance. Detailed electrochemical studies ferroelectric, dielectric, AC conductivity (σAC), cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), and current–voltage (I–V) analyses were performed without any modification. Ferroelectric characterization showed that the remanent (Pᵣ) and maximum polarization (Pmax) for MF and NO were 18.36 μC cm⁻²/4.12 μC cm⁻², respectively, whereas adding more MF significantly enhanced long-range ordering of Pmax up to 29.50 μC cm⁻². The dielectric analysis showed the composition-dependent enhancements and the AC conductivity followed Jonscher’s universal power law, indicating a better charge transport mechanism at higher frequency. It was found that the MF/NO-4 achieved a high specific capacitance of 450 F/g, which is 76.12% higher than the pristine material and excellent cyclic stability (74.6% after 2000 cycles) in GCD tests. CV results also confirmed its excellent pseudocapacitive performance (694 F/g). This work uniquely highlights an interfacial-coupling driven correlation between ferroelectric/dielectric behavior and electrochemical performance, which has not been reported previously for MF/NO-4 NCs. The superior electrochemical performance is attributed to the synergistic coupling of MF and NO phases, which promotes redox kinetics, ion diffusion, and structural integrity. This work indicates the potential use of MF/NO-4-based NCs as advanced electrode materials toward high-efficiency energy storage.

Graphical Abstract

高性能电极材料的开发和优化对下一代超级电容器的发展至关重要。在此基础上,我们采用溶胶-凝胶自燃烧技术制备了纯铁酸锰(MnFe₂O₄,MF)、氧化镍(NiO, NO)和MnFe₂O₄/NiO (MF/NO₁-₄)纳米复合材料(NCs),并对其结构、形态、光学、磁性和光催化性能进行了广泛的研究;本研究旨在进一步研究其电化学性能。详细的电化学研究进行了铁电、介电、交流电导率(σAC)、循环伏安(CV)、恒流充放电(GCD)和电流-电压(I-V)分析,没有任何修改。铁电特性表明,MF和NO的残余(Pᵣ)和最大极化(Pmax)分别为18.36 μC cm⁻²/4.12 μC cm⁻²,而添加更多的MF显著增强了Pmax的远程顺序,达到29.50 μC cm⁻²。电介质分析表明,复合材料的电导率随组分的增强而增强,并且符合Jonscher的通用幂定律,表明在较高频率下具有更好的电荷输运机制。在GCD测试中,MF/NO-4获得了450 F/g的高比电容,比原始材料提高了76.12%,并且具有良好的循环稳定性(循环2000次后为74.6%)。CV结果也证实了其优良的伪电容性能(694 F/g)。这项工作独特地强调了铁电/介电行为与电化学性能之间的界面耦合驱动的相关性,这在以前的MF/NO-4 NCs中没有报道过。优异的电化学性能归功于MF和NO相的协同耦合,这促进了氧化还原动力学,离子扩散和结构完整性。这项工作表明了MF/ no -4基NCs作为高效储能的先进电极材料的潜在用途。图形抽象
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引用次数: 0
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Journal of Sol-Gel Science and Technology
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