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Multifunctional PCN-222(Zr)/V-MXene/g-C3N4 Electrode with Superior Capacitive and Electrocatalytic Performance for Hybrid Supercapacitors and Hydrogen Energy 用于混合超级电容器和氢能的高性能PCN-222(Zr)/V-MXene/g-C3N4电极
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-22 DOI: 10.1007/s11664-025-12604-0
Mohammed Jalalah, Muneerah Alomar, Muhammad Azhar Mumtaz, Amir Muhammad Afzal, Farid A. Harraz

MXene/metal–organic framework (MOF)-based materials have emerged as promising candidates for high-performance hybrid supercapacitor electrodes due to their excellent conductivity and surface functionality. This work employed a hydrothermal method to synthesize PCN-222 and g-C3N4 nanostructures, while MXene was synthesized by the etching method, resulting in a PCN-222/MXene/g-C3N4 composite with a well-defined morphology. First, a three-electrode configuration was utilized, and the electrode demonstrated a specific capacitance (Cs) of 1905 F/g. A hybrid device (PCN-222(Zr)/V-MXene/g-C3N4//activated carbon [AC]), measured with a two-electrode system, delivered a specific capacity (Qs) of 189.4 C/g. The PCN-222(Zr)/V-MXene/g-C3N4//AC device delivered an outstanding specific energy of 77.6 Wh/kg, along with a high power output reaching 1895.7 W/kg. It revealed inspiring cycling durability, maintaining 87.3% of its original capacity over extended use and recorded a Coulombic efficiency of 95.5%, reflecting its exceptional charge/discharge reliability. The composite achieved 96.8% charging and 89.6% discharging. Its excellent conductivity and active sites contribute to enhanced oxygen reduction reaction (ORR) performance by achieving 60% retention after 6000 s. The electrode also performs better in HER with a 66.1 mV overpotential and a Tafel slope of 51.4 m V/dec. Overall, the nanocomposite shows strong potential for advanced energy storage systems and electrocatalytic applications.

MXene/金属有机框架(MOF)基材料因其优异的导电性和表面功能性而成为高性能混合超级电容器电极的有希望的候选者。本文采用水热法合成了PCN-222和g-C3N4纳米结构,而采用蚀刻法合成了MXene,得到了形貌清晰的PCN-222/MXene/g-C3N4复合材料。首先,采用三电极结构,电极的比电容(Cs)为1905 F/g。采用双电极系统测量的混合装置(PCN-222(Zr)/V-MXene/g- c3n4 //活性炭[AC])的比容量(Qs)为189.4 C/g。PCN-222(Zr)/V-MXene/g-C3N4//AC器件的比能量为77.6 Wh/kg,输出功率高达1895.7 W/kg。它显示了令人鼓舞的循环耐久性,在长时间使用中保持了87.3%的原始容量,并记录了95.5%的库仑效率,反映了其卓越的充放电可靠性。该复合材料的充放电率为96.8%,放电率为89.6%。其优异的导电性和活性位点有助于提高氧还原反应(ORR)性能,在6000 s后保持60%的保留率。该电极的过电位为66.1 mV, Tafel斜率为51.4 mV /dec,在HER中表现较好。总的来说,纳米复合材料在先进的储能系统和电催化应用方面显示出强大的潜力。
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引用次数: 0
Hierarchical and Porous Ni/TiO2/N-CNTs Artificial Interface Layer for Li-S Batteries Li-S电池的分层多孔Ni/TiO2/N-CNTs人工界面层
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-20 DOI: 10.1007/s11664-025-12606-y
Bin Liu, Jianfei Wu, Jing Ge, Yong Zhang, Hong Zhao

Lithium-sulfur (Li-S) batteries, despite their high theoretical energy density, face critical challenges such as polysulfide shuttling and Li dendrite growth, which severely limit their practical viability. Herein, we report a hierarchical porous Ni/TiO2/N-carbon nanotube (CNT) artificial interface layer engineered with Ni@Ti nano-oxide composites to simultaneously address these issues. The Ni-Ti oxides were synthesized via electrodeposition followed by high-temperature crystallization (973–1173 K), yielding a hierarchical structure comprising NiTiO3 and TiO2 crystallites, as well as CNT domains. When integrated as an artificial interface layer, the Li-S battery maintains a discharge capacity of up to 1184.9 mAh g−1 after 200 cycles, demonstrating remarkable cycle stability. The Ni/TiO2/N-CNT artificial interface layer features ultrafine CNTs and abundant active sites, enabling efficient polysulfide adsorption and accelerated redox kinetics. Moreover, the Ni/TiO2/N-CNT artificial interface layer homogenizes Li-ion flux, guiding planar Li deposition and inhibiting dendrite growth. This work not only provides a scalable strategy for designing high-performance Li-S batteries but also advances the fundamental understanding of bimetallic oxide-mediated interface engineering, offering new avenues for next-generation energy storage systems.

锂硫(Li-硫)电池虽然具有较高的理论能量密度,但却面临着多硫化物穿梭和锂枝晶生长等严峻挑战,严重限制了其实际应用的可行性。在此,我们报告了一种分层多孔Ni/TiO2/ n -碳纳米管(CNT)人工界面层与Ni@Ti纳米氧化物复合材料工程,以同时解决这些问题。Ni-Ti氧化物通过电沉积和高温结晶(973-1173 K)合成,得到由NiTiO3和TiO2晶体以及碳纳米管结构域组成的分层结构。当作为人工界面层集成时,锂- s电池在200次循环后保持高达1184.9 mAh g−1的放电容量,表现出出色的循环稳定性。Ni/TiO2/N-CNT人工界面层具有超细碳纳米管和丰富的活性位点,可实现高效的多硫化物吸附和加速氧化还原动力学。此外,Ni/TiO2/N-CNT人工界面层使锂离子通量均匀,引导平面锂沉积,抑制枝晶生长。这项工作不仅为设计高性能Li-S电池提供了可扩展的策略,而且还推进了对双金属氧化物介导的界面工程的基本理解,为下一代储能系统提供了新的途径。
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引用次数: 0
Liquid/Solid Interfacial Reactions Between Lead-Free Solders and Cu-6.01wt.% Sn-0.12wt.%P Alloy 无铅焊料与Cu-6.01wt的液/固界面反应。sn - 0.12 wt %。% P合金
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-19 DOI: 10.1007/s11664-025-12611-1
Yee-wen Yen, Mavindra Ramadhani, Chih-Ming Chen, Yu-En Huang, Hsien-Ming Hsiao, Hsiang Yu Chiu

This study investigates the liquid/solid interfacial reactions between lead-free solders (LFS) and Cu-6.01 wt.% Sn-0.12 wt.% P alloy (C5191), which offers superior strength, corrosion resistance, thermal stability, and electrical conductivity. Thus, C5191 is considered to replace Cu and is used for lead-frame materials. Three LFSs, including Sn, Sn-3.0 wt.% Ag-0.5 wt.% Cu (SAC), and Sn-0.7 wt.% Cu (SC), were reacted with C5191 at 240°C, 255°C, and 270°C for various durations. The results showed that the scalloped Cu6Sn5 and layered Cu3Sn phases were observed at the LFS/C5191 interfaces. Over prolonged reactions, the scallop-shaped Cu6Sn5 phase became more layered in morphology, particularly after 10 h in the Sn/C5191 couple. The intermetallic compound (IMC) thickness (d) was increased with reaction time (t) and temperature. The linear relationship between d and t1/2 was observed. It means that the IMC growth mechanism was diffusion-controlled. The activation energies in the LFS/C5191 systems were lower than those in the LFS/Cu systems. This finding reveals that C5191 is suitable for use as a lead-frame material in electronic packaging to ensure solder-joint reliability.

本研究研究了无铅焊料(LFS)与Cu-6.01 wt.% Sn-0.12 wt.% P合金(C5191)之间的液/固界面反应,C5191具有优异的强度、耐腐蚀性、热稳定性和导电性。因此,C5191被认为是铜的替代品,用于铅框架材料。将Sn、Sn-3.0 wt.% Ag-0.5 wt.% Cu (SAC)和Sn-0.7 wt.% Cu (SC)三种lfs与C5191在240°C、255°C和270°C下进行不同时间的反应。结果表明:在LFS/C5191界面处存在扇形Cu6Sn5相和层状Cu3Sn相;随着反应时间的延长,扇贝形状的Cu6Sn5相在形貌上变得更加分层,特别是在Sn/C5191对中反应10 h后。金属间化合物(IMC)厚度(d)随反应时间(t)和温度的升高而增加。观察到d与t1/2之间的线性关系。说明IMC生长机制受扩散控制。LFS/C5191体系的活化能低于LFS/Cu体系。这一发现表明C5191适合用作电子封装中的引线框架材料,以确保焊点的可靠性。
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引用次数: 0
Effect of Mass Transfer Path of Nanopore Integrated Cathode on the Performance of Li-O2 Batteries 纳米孔集成阴极传质路径对锂氧电池性能的影响
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-19 DOI: 10.1007/s11664-025-12492-4
Longfei Xu, Hong Sun, Tianyu Zhang, Jie Li, Qiang Li, Zhichao Xue, Mingfu Yu, Baojia Sun

As a key component of lithium-oxygen (Li-O2) batteries, the cathode has an important influence on the electrochemical reaction process of the battery, and Li-O2 batteries with nanopore cathodes tend to have higher discharge capacity. In order to investigate the effect of the cathode transfer path on the performance of Li-O2 batteries under the nanopore condition, three nanopore integrated cathodes with different thicknesses (150 μm, 300 μm, and 450 μm) are constructed in this work. Three aspects of cathode characteristics, battery performance, and electrochemical characteristics are investigated. It is found that the integrated cathode possesses an excellent pore structure with an average pore size of 19 nm and an average pore volume of 1.049 cm3/g, and the specific surface area is much higher than that of the carbon paper cathode. Under this structural parameter, the batteries show excellent discharge performance, with the 450 μm cathode having a discharge area capacity of up to 32.5 mAh/cm2, and the 150 μm cathode having an ultrahigh volumetric capacity of 1541.8 mAh cm−3. The 300 μm cathode exhibits better cycling stability. It can be seen that the increase in thickness can accommodate more discharge products, but it can reduce the utilization rate of the pores per unit volume. The right length of the transmission path improves the cycling stability of the battery. This paper provides data support for revealing the law of mass transfer path of nanopore cathode on the performance of Li-O2 batteries.

阴极作为锂氧(Li-O2)电池的关键部件,对电池的电化学反应过程有着重要的影响,采用纳米孔阴极的锂氧电池往往具有更高的放电容量。为了研究纳米孔条件下阴极转移路径对锂氧电池性能的影响,本研究构建了三种不同厚度(150 μm、300 μm和450 μm)的纳米孔集成阴极。从阴极特性、电池性能和电化学特性三个方面进行了研究。研究发现,该集成阴极具有优异的孔隙结构,平均孔径为19 nm,平均孔体积为1.049 cm3/g,比表面积远高于碳纸阴极。在此结构参数下,电池表现出优异的放电性能,其中450 μm阴极的放电面积容量高达32.5 mAh/cm2, 150 μm阴极的超高容量为1541.8 mAh/cm−3。300 μm阴极具有较好的循环稳定性。可以看出,厚度的增加可以容纳更多的排出产物,但会降低单位体积孔隙的利用率。合适的传输路径长度可以提高电池的循环稳定性。本文为揭示纳米孔阴极传质路径对锂氧电池性能的影响规律提供了数据支持。
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引用次数: 0
Comparison of the Characteristics of an Electric Double-Layer Capacitor Based on a Structural Analysis of Activated Carbon Derived from Various Thermosetting Resins 基于不同热固性树脂活性炭结构分析的双层电电容器特性比较
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-17 DOI: 10.1007/s11664-025-12602-2
Yiliya Aishan, Shinichiro Suzuki, Takeyasu Saito, Naoki Okamoto, Isamu Ide, Masanobu Nishikawa, Yoshikazu Onishi

This study examined the structure–property relationships of activated carbon derived from furan, phenolic, and melamine resins for electric double-layer capacitors (EDLCs). The resins were carbonized at 400–800°C and activated by KOH (700–900°C) or CO2 (800–1000°C). KOH activation at 900°C produced the largest specific surface areas; melamine resin-derived activated carbon exhibited the highest mesopore volume (1.32 cm3/g) and efficient activation, even at 800°C. Electrochemical evaluation revealed that phenolic carbon (900°C KOH) had the highest capacitance in 6 M KOH (194 F/g at 20 mA/g), whereas melamine (800°C KOH) maintained better high-rate performance due to a higher mesopore ratio. In 1 M TEABF4/PC, phenolic carbon (900°C) achieved 108 F/g due to enhanced hydrophobicity and mesoporosity. X-ray photoelectron spectroscopy and Boehm titration revealed that acidic groups contributed to the capacitance in aqueous electrolytes but hindered ion transport at high rates or in organic electrolytes. Melamine-derived carbons retained nitrogen functionalities (pyridinic and pyrrolic N), contributing to improved performance. These results show that tailoring activation conditions and resin chemistry enables control over pore structure and surface functionality, which is critical when optimizing EDLC electrodes for various electrolytes.

本研究考察了呋喃、酚醛和三聚氰胺树脂制备的双电层电容器(edlc)用活性炭的结构-性能关系。树脂在400-800℃下碳化,用KOH(700-900℃)或CO2(800-1000℃)活化。900℃时KOH活化产生最大的比表面积;三聚氰胺树脂衍生的活性炭表现出最高的中孔体积(1.32 cm3/g)和有效的活化,即使在800°C时也是如此。电化学评价表明,酚醛碳(900°C KOH)在6 M KOH (20 mA/g, 194 F/g)条件下具有最高的电容量,而三聚氰胺(800°C KOH)由于具有较高的介孔比而保持了更好的高速性能。在1 M TEABF4/PC中,酚醛碳(900°C)由于疏水性和介孔性增强,达到108 F/g。x射线光电子能谱和Boehm滴定表明,酸性基团有助于水电解质中的电容,但阻碍了离子在高速率或有机电解质中的传输。三聚氰胺衍生的碳保留了氮官能团(吡啶和吡啶N),有助于提高性能。这些结果表明,定制活化条件和树脂化学可以控制孔隙结构和表面功能,这在优化各种电解质的EDLC电极时至关重要。
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引用次数: 0
The Principle of Holographic Encryption Based on Metasurfaces and Its Research Progress 基于超曲面的全息加密原理及研究进展
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-16 DOI: 10.1007/s11664-025-12593-0
Shankang Ma, Huizhen Feng, Manna Gu, Xiaomei Zhang, Ying Tian, Chenxia Li

Metasurfaces are a type of two-dimensional artificial microstructure material with subwavelength thickness, and their precise control ability over core optical parameters such as the phase, amplitude and polarization of light waves has demonstrated broad application prospects in the field of optical information processing. Holographic encryption technology records the light wave interference pattern of an object to achieve the encoding and encrypted storage of information. Its characteristics are large information capacity and high encryption security. Metasurface holographic encryption technology combines the excellent optical control performance of metasurfaces with the principle of holographic encryption. By designing specific metasurface structures, it achieves independent or coordinated phase modulation of light of different wavelengths and polarization states, thereby generating encrypted holographic images. This article introduces the use of metasurfaces to regulate electromagnetic waves of a single frequency band and a combination of bands, achieving hologram and information encryption. In the coming years, as nanofabrication technology continues to mature, we can look forward to the continuous emergence of new encryption algorithms and the in-depth advancement of interdisciplinary research. It is expected that holographic encryption technology based on metasurfaces will achieve significant breakthroughs in enhancing encryption capabilities, expanding application scope, and realizing system integration, providing more efficient and reliable solutions for the modern information encryption and security field.

超表面是一种具有亚波长厚度的二维人工微结构材料,其对光波的相位、振幅和偏振等核心光学参数的精确控制能力在光学信息处理领域显示出广阔的应用前景。全息加密技术通过记录物体的光波干涉图样来实现信息的编码和加密存储。其特点是信息容量大,加密安全性高。超表面全息加密技术将超表面优越的光学控制性能与全息加密原理相结合。通过设计特定的超表面结构,实现不同波长和偏振态光的独立或协调相位调制,从而生成加密全息图像。本文介绍了利用超表面来调节单频段和多频段的电磁波,实现全息图和信息加密。在未来几年,随着纳米制造技术的不断成熟,我们可以期待新的加密算法的不断涌现和跨学科研究的深入推进。基于元表面的全息加密技术有望在增强加密能力、扩大应用范围、实现系统集成等方面取得重大突破,为现代信息加密与安全领域提供更加高效可靠的解决方案。
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引用次数: 0
Synthesis and Characterization of Copper-Doped Cobalt Oxide and Its Photocatalytic Activity Toward Eosin Yellow and Fuchsin Basic Dyes 铜掺杂氧化钴的合成、表征及其对伊红黄和品红碱性染料的光催化活性
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-16 DOI: 10.1007/s11664-025-12608-w
A. Sumathi, T. Kamatchi, S. Sangeethapriya, J. Sathiamoorthy

This study investigates copper-doped cobalt oxide as an efficient photocatalyst for the degradation of Eosin Yellow (anionic; EY) and Fuchsin Basic (cationic; FB) dyes. Cu-doped Co3O4 nanoparticles were synthesized with different copper loadings (2%, 4%, and 6%) and characterized using x-ray diffraction (XRD), Fourier transform infrared (FT-IR) and ultraviolet–visible (UV–vis) spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET), and x-ray photoelectron spectroscopy (XPS) analyses. XRD confirmed the formation of a face-centred cubic (fcc) spinel structure and FT-IR analysis verified the presence of characteristic functional groups. SEM and TEM analyses revealed randomly agglomerated spherical nanoparticles, with copper uniformly dispersed on the Co3O4 surface. UV–Vis measurements showed that the 6% Cu-doped sample exhibited a reduced bandgap of 2.65 eV, enhancing light absorption and photocatalytic activity. The photocatalytic efficiency of the synthesized materials was evaluated through the degradation of EY and FB dyes under UV irradiation. Operational parameters, including pH, catalyst dosage, dye concentration, and scavenger effects, were systematically optimized. Among the tested samples, 6% Cu-doped Co3O4 demonstrated superior degradation performance compared to pure Co3O4 and lower dopant levels. The catalyst also exhibited excellent reusability, retaining high activity over three successive cycles. The enhanced photocatalytic performance is attributed to improved electron–hole separation and efficient reactive oxygen species generation under UV light. These results indicate that Cu-doped Co3O4 is a promising photocatalyst for the efficient removal of hazardous organic contaminants from wastewater.

Graphical Abstract

本研究研究了铜掺杂的氧化钴作为一种有效的光催化剂,用于降解伊红黄(阴离子;EY)和品红碱(阳离子;FB)染料。合成了不同铜负载量(2%、4%和6%)的cu掺杂Co3O4纳米颗粒,并通过x射线衍射(XRD)、傅里叶变换红外(FT-IR)和紫外可见(UV-vis)光谱、扫描电镜(SEM)、透射电镜(TEM)、布鲁诺尔-埃米特-泰勒(BET)和x射线光电子能谱(XPS)分析对其进行了表征。XRD证实了面心立方尖晶石结构的形成,FT-IR分析证实了特征官能团的存在。SEM和TEM分析显示,Co3O4表面随机聚集球形纳米颗粒,铜均匀分布在表面。紫外可见测试表明,6% cu掺杂样品的带隙减小到2.65 eV,增强了光吸收和光催化活性。通过紫外辐射降解EY和FB染料,评价了合成材料的光催化效率。系统地优化了pH、催化剂用量、染料浓度和清除剂效果等操作参数。在测试样品中,6% cu掺杂的Co3O4与纯Co3O4相比表现出更好的降解性能和更低的掺杂水平。该催化剂还表现出优异的可重复使用性,在连续三个循环中保持高活性。光催化性能的增强是由于在紫外光下电子空穴分离的改善和活性氧的高效生成。这些结果表明,cu掺杂Co3O4是一种很有前途的光催化剂,可以有效去除废水中的有害有机污染物。图形抽象
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引用次数: 0
Material and Interface Innovations in Perovskite–Silicon Tandem Solar Cells for Enhanced Stability and Efficiency 钙钛矿-硅串联太阳能电池的材料和界面创新以提高稳定性和效率
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-16 DOI: 10.1007/s11664-025-12581-4
Anupam Sharma, Ajay Sharma, Mukesh Garg, Narinder Kumar, Suchinder K. Sharma, Anil Kumar Sharma

Tandem perovskite–silicon solar cells (PRSi TSC) have gained significant attention for their potential to surpass the efficiency limits of traditional single-junction cells. This review explores the developments in two-terminal (2T), three-terminal (3T), and four-terminal (4T) configurations: 2T cells are easier to fabricate but face challenges in stability and current matching, 3T cells improve on these issues but add complexity with an extra terminal for independent charge extraction, while 4T cells offer higher efficiency and flexibility but are less cost-effective owing to increased material use and optical losses. This review also discusses advancements in electron transport layer materials, wide-bandgap perovskite absorbers, and mixed perovskite absorbers designed to enhance stability and optimize performance. Current efficiency benchmarks and stability metrics are highlighted, alongside challenges such as temperature instability, moisture degradation, and scalability. Solutions are presented, including improved perovskite formulations, interface engineering, and advanced encapsulation strategies. Recent research shows progress in addressing these real-world challenges, pushing tandem solar cells closer to their theoretical efficiency limits through innovations in passivation, light management, and contact materials.

Graphical Abstract

串联钙钛矿-硅太阳能电池(PRSi - TSC)因其超越传统单结电池效率限制的潜力而受到广泛关注。本综述探讨了双端(2T),三端(3T)和四端(4T)配置的发展:2T电池更容易制造,但面临稳定性和电流匹配方面的挑战,3T电池改进了这些问题,但增加了独立电荷提取的额外终端的复杂性,而4T电池提供更高的效率和灵活性,但由于材料使用和光学损耗的增加,成本效益较低。本文还讨论了电子传输层材料、宽带隙钙钛矿吸收剂和混合钙钛矿吸收剂的研究进展,以提高其稳定性和优化其性能。强调了当前的效率基准和稳定性指标,以及温度不稳定性、水分降解和可扩展性等挑战。提出了解决方案,包括改进钙钛矿配方,界面工程和先进的封装策略。最近的研究表明,在解决这些现实挑战方面取得了进展,通过在钝化、光管理和接触材料方面的创新,将串联太阳能电池推向了理论效率极限。图形抽象
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引用次数: 0
Enhancing the Thermoelectric Power Factor of Ag-Bi-Te Alloy Films via Post-Annealing Treatment 后退火处理提高Ag-Bi-Te合金薄膜热电功率因数
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-14 DOI: 10.1007/s11664-025-12595-y
M. Yasir Ali, Arslan Ashfaq, Adnan Ali, Khalid Mehmood, Shaimaa A. M. Abdelmohsen, Meznah M. Alanazi, Lana M. Sulayem, Ahmed H. Ragab

Ag-Bi-Te thin films were successfully synthesized using a simple and cost-effective thermal evaporation route and post-annealing at 400°C for different durations (0, 30, 60, and 90 min) to tailor their structural, morphological, and thermoelectric properties. X-ray diffraction confirmed the formation of a polycrystalline Ag-Bi-Te alloy with preferred orientation along the (012) plane. The crystallinity and grain size were significantly influenced by annealing duration, reaching a maximum for the 60 min annealed sample. Scanning electron microscopy (SEM) micrographs revealed a smooth and compact morphology for the as-grown film, evolving into large, well-defined grains upon annealing, with the maximum grain growth observed after 60 min. Extending the annealing time to 90 min led to slight grain coalescence and microstructural degradation, likely due to Te volatilization and defect reformation. Electrical and thermoelectric measurements demonstrated that post-annealing strongly affects the charge transport mechanism. The Seebeck coefficient and electrical conductivity exhibited opposite trends to carrier concentration and mobility, reaching optimal values at 60 min of annealing. The sample annealed for 60 min showed the highest Seebeck coefficient (148 µV K−1 at 300 K), electrical conductivity (170 S cm−1), and mobility (31.7 cm2 V−1 s−1), resulting in a maximum power factor of 3.73 × 10−4 W m−1 K−2 at 350 K. This enhancement is attributed to improved crystallinity, reduced defect density, and energy-filtering effects at grain boundaries. However, excessive annealing beyond 60 min caused a degradation in all parameters due to structural instability and non-stoichiometric variations. This study demonstrates that controlled post-annealing at 400°C for 60 min provides an optimal balance between structural ordering and carrier transport, significantly enhancing the thermoelectric power factor of Ag-Bi-Te alloy films. The results highlight the crucial role of thermal processing in tuning microstructural and electronic properties for high-performance, low-cost thermoelectric devices.

Ag-Bi-Te薄膜采用简单而经济的热蒸发方法,并在400°C下进行不同时间(0、30、60和90分钟)的退火,成功合成了Ag-Bi-Te薄膜,以调整其结构、形态和热电性能。x射线衍射证实在(012)平面上形成了取向优先的多晶Ag-Bi-Te合金。退火时间对结晶度和晶粒尺寸有显著影响,在退火60 min时达到最大值。扫描电镜(SEM)显微照片显示,生长膜的形貌光滑紧凑,退火后演变成大而明确的晶粒,在60分钟后观察到最大的晶粒生长。将退火时间延长至90 min后,由于Te的挥发和缺陷的重新形成,导致了轻微的晶粒合并和微观组织的退化。电学和热电测量表明,退火后强烈影响电荷输运机制。Seebeck系数和电导率表现出与载流子浓度和迁移率相反的趋势,在退火60 min时达到最佳值。样品退火60 min后显示出最高的塞贝克系数(300 K时为148 μ V K−1),电导率(170 S cm−1)和迁移率(31.7 cm2 V−1 S−1),在350 K时产生的最大功率因数为3.73 × 10−4 W m−1 K−2。这种增强是由于结晶度的提高、缺陷密度的降低和晶界处的能量过滤效应。然而,由于结构不稳定和非化学计量变化,超过60分钟的过度退火会导致所有参数的退化。本研究表明,在400°C下进行60 min的控制后退火可以在结构有序和载流子输运之间达到最佳平衡,显著提高了Ag-Bi-Te合金薄膜的热电功率因数。研究结果强调了热处理在调整高性能、低成本热电器件的微结构和电子性能方面的关键作用。
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引用次数: 0
Exploring the Electronic and Thermoelectric properties of FeMnZ (Z = P, As) Half-Heusler Alloys for Spintronics: A DFT Insight 探索自旋电子学用FeMnZ (Z = P, As)半heusler合金的电子和热电性质:DFT见解
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-13 DOI: 10.1007/s11664-025-12599-8
D. Saikia, Ramesh Sharma, Ali El-Rayyes, Abdulaziz A. Alshihri

We present a comprehensive first-principles study on the electronic, thermoelectric, and optoelectronic properties of FeMnZ (Z = P, As) half-Heusler alloys in space group F-43m using the generalized gradient approximation in the Perdew–Burke–Ernzerhof (PBE–GGA) framework along with modified Becke–Johnson potentials (mBJ–GGA) within density functional theory. Both compounds are found to be stable in the ferromagnetic state. The spin-polarized band structure reveals that FeMnZ (Z = P, As) compounds are half-metallic with a minority bandgap of 0.737 eV (FeMnP) and 0.682 eV (FeMnAs), exhibiting 100% spin polarization at the Fermi level. Both compounds exhibit a total magnetic moment of 2 μB, arising from Fe–Mn 3d orbital hybridization, consistent with the Slater–Pauling rule. The predicted density of states (DOS) spectra demonstrate that the contribution to the valence and conduction bands is predominantly by Fe d and Mn d states, with significant dd hybridization. Thermoelectric measurements reveal a higher power factor for the compounds, with a figure of merit (ZT) approaching 0.45 at elevated temperatures. Optical analysis shows strong absorption in the UV–visible range and low energy loss, highlighting their potential for optoelectronic applications. These findings underscore the potential of FeMnZ (Z = P, As) half-Heusler alloys as robust multifunctional materials, simultaneously combining half-metallicity, high-temperature thermoelectric efficiency, and strong optical response for spintronic, thermoelectric, and optoelectronic applications.

Graphical Abstract

我们利用Perdew-Burke-Ernzerhof (PBE-GGA)框架中的广义梯度近似以及密度泛函理论中的修正Becke-Johnson势(mBJ-GGA),对空间群F-43m中FeMnZ (Z = P, As)半heusler合金的电子、热电和光电子性质进行了全面的第一性原理研究。这两种化合物在铁磁状态下都是稳定的。自旋极化带结构表明,FeMnZ (Z = P, As)化合物为半金属,带隙为0.737 eV (FeMnP)和0.682 eV (FeMnAs),在费米能级表现出100%的自旋极化。两种化合物的总磁矩均为2 μB,由Fe-Mn三维轨道杂化引起,符合slate - pauling规则。预测态密度(DOS)谱表明,价带和导带主要由Fe d和Mn d态贡献,并伴有明显的d - d杂化。热电测量表明,化合物具有更高的功率因数,在高温下的优点值(ZT)接近0.45。光学分析表明,该材料在紫外-可见范围内具有较强的吸收能力,能量损失低,突出了其光电应用潜力。这些发现强调了FeMnZ (Z = P, As)半heusler合金作为强大的多功能材料的潜力,同时结合了半金属性,高温热电效率,以及自旋电子,热电和光电子应用的强光学响应。图形抽象
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引用次数: 0
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Journal of Electronic Materials
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