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Machine Learning-Driven Design of Broadband, Polarization-Insensitive Terahertz Metamaterial Absorber 基于机器学习的宽带偏振不敏感太赫兹超材料吸收器设计
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-06 DOI: 10.1007/s11664-025-12587-y
G. Chamundeswari, Raghunadha Reddi Dornala, M. Chaitanya Kishore Reddy, Prince Jain, Krishna Prakash

This study presents a compact, thermally tunable terahertz metamaterial absorber comprising a patterned vanadium dioxide (VO2) resonator, a dielectric spacer, and a metallic ground plane. Exploiting the thermally induced insulator–metal phase transition of VO2, the absorber enables dynamic modulation of absorption from near-zero to unity. In the metallic phase, it exhibits multi-resonant broadband absorption with near-unity peaks at 1.91 THz, 4.40 THz, and 5.26 THz, maintaining absorptivity above 70% across the 1.56–5.47 THz range. The design demonstrates polarization insensitivity and robust performance under oblique incidence up to 45°, confirming its suitability for practical THz applications. To accelerate design optimization, machine learning models including random forest, CatBoost, gradient boosting, and a stacked ensemble were used to predict absorption behavior from geometric parameters. The stacked ensemble achieved the highest predictive accuracy (R2 = 0.9979), validating the effectiveness of AI-assisted optimization in metamaterial absorber design.

Graphical Abstract

本研究提出了一种紧凑的、热可调谐的太赫兹超材料吸收器,包括一个图像化的二氧化钒(VO2)谐振器、一个介电间隔器和一个金属接地面。利用VO2的热诱导绝缘体-金属相变,吸收器使吸收从接近零到统一的动态调制成为可能。在金属相,它表现出多共振宽带吸收,在1.91 THz、4.40 THz和5.26 THz处有近统一峰,在1.56 ~ 5.47 THz范围内吸光度保持在70%以上。该设计在45°斜入射下具有极化不敏感和鲁棒性,证实了其适合于实际太赫兹应用。为了加速设计优化,使用了随机森林、CatBoost、梯度增强和堆叠集成等机器学习模型来预测几何参数的吸收行为。堆叠集成获得了最高的预测精度(R2 = 0.9979),验证了人工智能辅助优化在超材料吸收器设计中的有效性。图形抽象
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引用次数: 0
Organic Electronics to See Deeper and Go Farther: Recent Advances in Polymeric Devices for Infrared Sensing and Energy Storage 有机电子学看得更深,走得更远:用于红外传感和能量存储的聚合物器件的最新进展
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-06 DOI: 10.1007/s11664-025-12590-3
Tse Nga Ng

This brief communication presents recent advances and emerging opportunities in narrow-bandgap polymeric devices for infrared sensing and energy storage applications. Donor–acceptor polymers with extended conjugation offer spectral tunability and redox stability, properties that are key to improving optoelectronic and electrochemical functions. The resulting devices and demonstrations highlight their potential to enable integrated energy and sensing in future autonomous systems.

Graphical Abstract

这篇简短的通讯介绍了用于红外传感和储能应用的窄带隙聚合物器件的最新进展和新兴机会。具有扩展共轭的给体-受体聚合物提供光谱可调性和氧化还原稳定性,这些特性是改善光电和电化学功能的关键。由此产生的设备和演示突出了它们在未来自主系统中实现集成能源和传感的潜力。图形抽象
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引用次数: 0
Interfacial Strengthening of Epoxy Composites by Functionalized UiO-66 MOFs under Thermal Cycling 热循环下功能化UiO-66 MOFs对环氧复合材料界面的强化研究
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-03 DOI: 10.1007/s11664-025-12572-5
Shuai Ke, Cui Luo, Siliang He, Bo Wang, Wei Huang, Hiroshi Nishikawa, Kailin Pan

This study investigates the evolution of the thermal and mechanical properties of epoxy resin (EP) composites reinforced with functionalized metal–organic framework (MOF) nanoparticles, specifically UiO-66-NH2 and UiO-66-(OH)2, following thermal cycling. The interfacial reinforcement mechanisms of MOFs in EP were further elucidated by molecular dynamics simulations. The results show that, after undergoing 100, 200, and 300 thermal cycles, the properties of both UiO-66-NH2/EP and UiO-66-(OH)2/EP composites exhibit a monotonic decrease. Nevertheless, they display superior thermal and mechanical performance compared with neat EP, including lower mass loss rates, higher thermal decomposition temperatures, greater residual mass fractions, and enhanced tensile strength. Scanning electron microscopy and Fourier-transform infrared spectroscopy further confirmed that the incorporation of MOFs effectively delays interfacial degradation and inhibits matrix decomposition. Moreover, simulation results reveal that the interface between UiO-66-NH2 and EP forms numerous covalent bonds via cross-linking reactions between amino and epoxy groups, resulting in a binding energy of approximately 5003 kcal mol−1, which is higher than that of non-cross-linked amino and hydroxyl interfacial systems. In addition, the UiO-66-NH2/EP interface exhibits the lowest molecular mean square displacement and diffusion coefficient, indicating the highest interfacial compactness and the most restricted molecular chain mobility, thereby achieving the best reinforcement effect. This study elucidates the evolution and mechanisms of the thermal and mechanical properties of MOF/epoxy composites under thermal cycling, providing theoretical support for the design and engineering applications of aerospace materials under space service conditions.

本研究研究了功能化金属有机骨架(MOF)纳米颗粒增强环氧树脂(EP)复合材料(特别是UiO-66- nh2和UiO-66-(OH)2)在热循环后的热力学性能演变。通过分子动力学模拟进一步阐明了MOFs在EP中的界面强化机理。结果表明:经过100、200和300次热循环后,UiO-66- nh2 /EP和UiO-66-(OH)2/EP复合材料的性能均呈现单调下降趋势;然而,与纯EP相比,它们表现出更优越的热学和机械性能,包括更低的质量损失率、更高的热分解温度、更大的残余质量分数和更高的抗拉强度。扫描电镜和傅里叶变换红外光谱进一步证实mof的掺入有效延缓了界面降解,抑制了基体分解。此外,模拟结果表明,UiO-66-NH2与EP之间的界面通过氨基和环氧基之间的交联反应形成了许多共价键,其结合能约为5003 kcal mol−1,高于非交联的氨基和羟基界面系统。此外,uuo -66- nh2 /EP界面具有最低的分子均方位移和扩散系数,表明界面致密性最高,分子链迁移率受限,从而达到最佳的强化效果。本研究阐明了热循环条件下MOF/环氧复合材料热力学性能的演变及机理,为航天材料在空间服役条件下的设计和工程应用提供理论支持。
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引用次数: 0
Enhancing Hydrophilicity of Electroplated Ag Metallization by Ar/O2 Plasma Treatment to Promote Ag Sintering Reaction Ar/O2等离子体处理提高镀银金属化的亲水性,促进银的烧结反应
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-03 DOI: 10.1007/s11664-025-12584-1
Minju Yu, Seoyeong Lee, Min-Su Kim

Wide-bandgap (WBG) power modules require robust die attach for high-temperature applications. Ag is attracting attention as a die attach bonding material for WBG power semiconductors due to its advantages such as high thermal/electrical conductivities and high operable temperature. The robustness and reliability of the bonding joint are generally influenced by the chemical and physical state of the surface. Some module manufacturers recommend plasma pre-cleaning of the substrate surface during the Ag sintering process. However, there is insufficient information regarding the effect of plasma pre-cleaning on the sintering characteristics between the Ag plating and Ag powder, and its contribution to improving joint quality. This study investigates the effect of Ar/O2 plasma pre-cleaning on Ag sintering behavior on the electroplated Ag metallization. We compared three conditions for Cu dies/substrates with electroplated Ag metallization: (1) no cleaning, (2) ethanol ultrasonic cleaning, and (3) ethanol ultrasonic cleaning + Ar/O2 plasma treatment pressure-assisted Ag sintering. Plasma-treated samples exhibited the highest shear strength (49.38 MPa), a 37.5% increase over non-cleaned samples. The plasma pre-cleaned sample exhibited the best interfacial connection ratio (63.34%) between the Ag sintered layer and Ag metallization and the lowest porosity. These enhancements are attributed to the effective removal of surface contaminants and a significant increase in surface energy, which improved the hydrophilicity of the Ag surface. Ar/O2 plasma pre-cleaning thus effectively removes contaminants and activates the surface, significantly enhancing the microstructural, mechanical, and thermal properties of Ag sintered joints.

Graphical Abstract

宽带隙(WBG)功率模块需要坚固的芯片连接用于高温应用。银由于其高导热/导电性和高工作温度等优点,作为WBG功率半导体的贴装材料受到了广泛的关注。粘接接头的坚固性和可靠性通常受到表面化学和物理状态的影响。一些模块制造商建议在银烧结过程中对基板表面进行等离子体预清洗。然而,关于等离子体预清洗对镀银和银粉之间烧结特性的影响及其对提高接头质量的贡献的研究还不够充分。研究了Ar/O2等离子体预清洗对镀银金属化过程中银烧结行为的影响。我们比较了电镀银金属化Cu模具/衬底的三种条件:(1)不清洗,(2)乙醇超声波清洗,(3)乙醇超声波清洗+ Ar/O2等离子体处理压力辅助银烧结。等离子体处理样品的抗剪强度最高(49.38 MPa),比未处理样品提高了37.5%。等离子体预清洗样品的Ag烧结层与Ag金属化层之间的界面连接率最高(63.34%),孔隙率最低。这些增强归因于有效去除表面污染物和表面能的显着增加,这改善了银表面的亲水性。因此,氩/氧等离子体预清洗可以有效地去除污染物并激活表面,显著提高银烧结接头的显微组织、力学和热性能。图形抽象
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引用次数: 0
AI-Enhanced Materials Selection Pipeline for High-Performance Actuators in Power and Aerospace Systems: Predicting Thermal Hysteresis in High-Temperature Shape Memory Alloys 电力和航空航天系统中高性能执行器的人工智能增强材料选择管道:预测高温形状记忆合金的热滞后
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-03 DOI: 10.1007/s11664-025-12554-7
Xuezhe Zhang, Liqing Su, Cuihua Li

Because of their intricate composition–processing–property relationships and the high experimental cost of alloy synthesis, shape memory alloys (SMAs), especially ternary Ni-Ti-Hf alloy, remain difficult to predict in terms of their behavior. Efficient materials discovery and alloy design optimization for practical uses depend on the precise classification of SMA and non-SMA compositions. This work offers an interpretable, optimization-driven machine learning (ML) framework to tackle this problem. It combines an adaptive hybrid dandelion optimizer (DETDO) and Bayesian hyperparameter tuning (Optuna) with sophisticated classifiers, such as logistic regression, XGBoost, and CatBoost. To increase generalization and reduce class bias, the dataset was balanced using SMOTEENN resampling and improved with engineered compositional and processing features. With a cross-validation F1-score of 0.9846, a test F1-score of 0.9524, and a test accuracy of 0.9167, the DETDO–XGBoost model outperformed the other models in the test, demonstrating its superior predictive stability. The main factors influencing SMA prediction, according to SHAP interpretability analysis, were Ni atomic percentage, delta_mass, and final-aging duration. This study shows that SMA functionality is defined by a combination of thermomechanical and compositional factors. The suggested framework supports useful developments in automotive, aerospace, and renewable energy applications by offering a quick, scalable, and explicable method for intelligent alloy screening.

形状记忆合金(SMAs),特别是三元Ni-Ti-Hf合金,由于其复杂的成分-加工-性能关系和合金合成的高实验成本,其行为仍然难以预测。有效的材料发现和实际应用的合金设计优化取决于SMA和非SMA成分的精确分类。这项工作提供了一个可解释的、优化驱动的机器学习(ML)框架来解决这个问题。它结合了自适应混合蒲公英优化器(DETDO)和贝叶斯超参数调优器(Optuna),以及复杂的分类器,如逻辑回归、XGBoost和CatBoost。为了提高泛化和减少类偏差,使用SMOTEENN重采样来平衡数据集,并使用工程成分和处理特征对数据集进行改进。DETDO-XGBoost模型的交叉验证F1-score为0.9846,检验F1-score为0.9524,检验准确率为0.9167,优于其他模型,具有较好的预测稳定性。根据SHAP可解释性分析,影响SMA预测的主要因素是Ni原子百分比、δ质量和最终老化时间。这项研究表明,SMA的功能是由热机械和成分因素共同决定的。建议的框架通过提供一种快速、可扩展和可解释的智能合金筛选方法,支持汽车、航空航天和可再生能源应用的有用发展。
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引用次数: 0
Two-Dimensional Heterostructures: Synthesis, Integration, and Technological Applications 二维异质结构:合成、集成和技术应用
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-03 DOI: 10.1007/s11664-025-12551-w
Anastasiia Rymzhina, Vladimir Pavelyev, Prachi Sharma, Prabhash Mishra, Irina Kozlova, Nishant Tripathi

The rapid evolution of two-dimensional (2D) materials and heterostructures made with them has unlocked novel opportunities in the design of next-generation optoelectronic and electronic gadgets owing to their exceptional mechanical, electronic, as well as optical characteristics. This review systematically examines the principal fabrication methodologies for 2D heterostructures, including mechanical exfoliation, vacuum filtration, drop casting, and epitaxial growth, with a critical assessment of their scalability, reproducibility, and structural integrity. Special attention is given to deterministic assembly techniques and recent advancements in robotic fabrication for wafer-scale integration. Furthermore, the review explores the broad spectrum of 2D heterostructures technological use in such fields as photodetection, optoelectronics, gas sensing, as well as biosensing. Emphasis is placed on the correlation between band alignment in various heterojunction configurations (type I, II, III, and Z-scheme) and their impact on charge transport, carrier dynamics, and device performance. By offering a comprehensive overview of fabrication strategies and functional implementations, this article aims to guide the progression of 2D material-based heterostructures that provide scalability and high-performance operation for future nanoelectronic and photonic systems.

二维(2D)材料及其异质结构的快速发展,由于其卓越的机械、电子和光学特性,为下一代光电和电子器件的设计带来了新的机遇。本文系统地研究了二维异质结构的主要制造方法,包括机械剥落、真空过滤、滴铸和外延生长,并对其可扩展性、可重复性和结构完整性进行了关键评估。特别关注的是确定性装配技术和晶圆级集成机器人制造的最新进展。此外,本文还探讨了二维异质结构技术在光探测、光电子、气体传感以及生物传感等领域的广泛应用。重点放在各种异质结结构(I型、II型、III型和z型)的带对准之间的相关性及其对电荷输运、载流子动力学和器件性能的影响。通过对制造策略和功能实现的全面概述,本文旨在指导二维材料异质结构的发展,为未来的纳米电子和光子系统提供可扩展性和高性能的操作。
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引用次数: 0
Hierarchical Architecture of Mesoporous Carbon Wrapped Graphene as Matrix Material of Sulfur for Cathode Material of Lithium-Sulfur Batteries 中孔碳包石墨烯作为锂硫电池正极材料硫基材料的层次化结构
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-01 DOI: 10.1007/s11664-025-12566-3
Shuntao Xu, Ruilin Wu, Zhengfu Zhang, Weibo Kong, Lixia Bao

Hierarchical architecture materials of mesoporous carbon wrapped graphene (MC@G) composite are prepared by a sol-gel coating method, MC@G composites are infiltrated with sulfur to prepare cathode material of lithium-sulfur batteries (Li-S) with high discharge capacity at low current. The MC@G was synthesized using graphene as conductive base material and mesoporous carbon shell wrapped on the surface of graphene as a matrix for loading sulfur, which results in high utilization of active material at low current. The hierarchical architecture of MC@G carbon/carbon nanocomposites forms an effective conducting base material for electron transport in electrode material, which significantly improves the electronic conductivity of cathode material and utilization of active material. Taking advantage of the structure, the S/MC@G cathode material exhibits an initial specific discharge capacity of 1158 mA h g−1 and 1131 mA h g−1 at current of 0.1 C and 0.5 C, the S/MC@G cathode material exhibits higher capacity retention and rate performance than S/rGO cathode material. We believe that the hierarchical mesoporous architecture of MC@G can also be applicable for designing some other electrode materials for energy storage.

采用溶胶-凝胶包覆法制备中孔碳包覆石墨烯(MC@G)复合材料的层次化结构材料,MC@G复合材料中渗透硫,制备低电流高放电容量锂硫电池(li -硫电池)正极材料。以石墨烯为导电基材,包裹在石墨烯表面的介孔碳壳作为负载硫的基体,合成了MC@G,使活性材料在低电流下具有较高的利用率。MC@G碳/碳纳米复合材料的层次化结构为电极材料中的电子传递形成了有效的导电基材,显著提高了正极材料的电子导电性和活性材料的利用率。利用该结构,S/MC@G阴极材料在0.1 C和0.5 C电流下的初始比放电容量分别为1158 mA h g - 1和1131 mA h g - 1, S/MC@G阴极材料比S/rGO阴极材料具有更高的容量保持率和倍率性能。我们相信MC@G的分层介孔结构也可以应用于其他储能电极材料的设计。
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引用次数: 0
Scalable Graphene Electrodes via Electrochemical and Plasma-Assisted Routes for High-Performance Supercapacitors: Structural and Device-Level Insights 通过电化学和等离子体辅助路线用于高性能超级电容器的可扩展石墨烯电极:结构和设备级见解
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-12-01 DOI: 10.1007/s11664-025-12538-7
Maziyar Sabet

Graphene has emerged as a critical electronic material for next-generation supercapacitors, yet scalable synthesis routes that balance performance, reproducibility, and sustainability remain underexplored. In this study, six synthesis methods—electrochemical exfoliation, plasma-assisted treatment, arc discharge, thermal shock, liquid-phase exfoliation, and flame oxidation—were systematically benchmarked under unified fabrication and testing protocols. Electrochemically exfoliated graphene achieved the highest capacitance (~430 F g−1 at 1 A g−1) with > 95% retention after 10,000 cycles, owing to a wrinkled nanosheet morphology and controlled defect density. Plasma-assisted functionalization further reduced charge-transfer resistance (~1.5 Ω) and enhanced high-rate capability, enabling device-level energy and power densities of 40 Wh kg−1 and 8.2 kW kg−1, respectively. Raman spectroscopy, scanning electron microscopy (SEM), and impedance spectroscopy confirmed structure–performance correlations, while multiscale modeling including density functional theory (DFT), finite element analysis (FEA), and molecular dynamics (MD) provided mechanistic insights into ion transport and defect engineering. Comparative sustainability analysis identified electrochemical and plasma-assisted methods as the most viable for industrial adoption, offering low energy demand and minimal environmental impact. These findings establish graphene synthesized via eco-aligned, scalable routes as a competitive electronic material platform for supercapacitors, bridging laboratory performance with device-level integration.

石墨烯已成为下一代超级电容器的关键电子材料,但平衡性能、可重复性和可持续性的可扩展合成路线仍未得到充分探索。在本研究中,在统一的制造和测试方案下,系统地对电化学剥离、等离子体辅助处理、电弧放电、热冲击、液相剥离和火焰氧化六种合成方法进行了基准测试。电化学剥离的石墨烯在1 A g−1时获得了最高的电容(~430 F g−1),并在10,000次循环后保持了>; 95%,这是由于皱褶的纳米片形貌和可控的缺陷密度。等离子体辅助功能化进一步降低了电荷转移电阻(~1.5 Ω)并增强了高速率能力,使器件级能量密度和功率密度分别达到40 Wh kg - 1和8.2 kW kg - 1。拉曼光谱、扫描电子显微镜(SEM)和阻抗谱证实了结构-性能的相关性,而包括密度泛函理论(DFT)、有限元分析(FEA)和分子动力学(MD)在内的多尺度建模为离子输运和缺陷工程提供了机理见解。对比可持续性分析表明,电化学和等离子体辅助方法在工业应用中最可行,能源需求低,对环境的影响最小。这些发现确立了通过生态对齐、可扩展路线合成的石墨烯作为超级电容器的竞争性电子材料平台,将实验室性能与设备级集成连接起来。
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引用次数: 0
Cu/Sn-58Bi/Microporous-Cu Composite Joint Formation via Capillary-Driven Transient Liquid-Phase Bonding Under Air Atmosphere Cu/Sn-58Bi/微孔-Cu复合节理在毛细管驱动下的瞬态液相键合
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-25 DOI: 10.1007/s11664-025-12555-6
Bifu Xiong, Cui Luo, Xingyu Li, Liangyin Hu, Haobo Dong, Siliang He, Zhishen Liang, Ni Zhang, Hongbo Qin, Hiroshi Nishikawa

This study conducted a systematic investigation on the shear strength and microstructural evolution of Cu/Sn-58Bi/microporous-Cu/Sn-58Bi/Cu composite solder joints subjected to varied bonding parameters and subsequent isothermal aging at 120°C for durations extending to 60 days. The bonding process was executed using a magnetically agitated reflow platform. The joint mechanical properties were evaluated through shear strength testing and microstructural evolution observed by scanning electron microscopy (SEM) and energy-dispersive x-ray spectroscopy (EDS). The results demonstrate that the shear strength of the composite joints peaked at 73 MPa under a bonding temperature of 250°C and a bonding time of 30 s. However, extending the bonding time to 90 s at 250°C induced excessive coarsening of the brittle Bi phase and void formation, resulting in diminished shear strength of 66.7 MPa. During thermal aging, the shear strength exhibited an initial decrease followed by a subsequent recovery. This recovery is primarily associated with the refinement of Bi-rich phases and phase segregation, which lead to the redistribution of internal stress and the temporary stabilization of the microstructure. These observations substantiate the feasibility of fabricating high-performance joints under ambient conditions. These findings provide critical engineering insights for optimizing processing parameters and controlling microstructure to enhance the reliability of high-temperature packaging in third-generation semiconductor devices and power electronics.

本研究系统研究了Cu/Sn-58Bi/微孔Cu/Sn-58Bi/Cu复合焊点在不同焊接参数和随后120℃等温时效60天下的剪切强度和显微组织演变。粘接过程采用磁搅拌回流平台进行。通过剪切强度测试和扫描电镜(SEM)、能谱仪(EDS)观察接头的微观组织演变,评价接头的力学性能。结果表明:当结合温度为250℃,结合时间为30 s时,复合接头的抗剪强度达到73 MPa;然而,在250℃下将结合时间延长至90 s,脆性Bi相过度粗化并形成空洞,导致抗剪强度降低66.7 MPa。在热老化过程中,抗剪强度呈现先降低后恢复的趋势。这种恢复主要与富bi相的细化和相偏析有关,这导致内应力的重新分布和微观组织的暂时稳定。这些观察结果证实了在环境条件下制造高性能接头的可行性。这些发现为优化加工参数和控制微观结构提供了关键的工程见解,以提高第三代半导体器件和电力电子器件的高温封装可靠性。
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引用次数: 0
Unraveling the Nature of Optical Transitions and Trap States in Polymeric Semiconductors 揭示聚合物半导体中光学跃迁和陷阱态的本质
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-22 DOI: 10.1007/s11664-025-12569-0
Mohammad Z. Rahman, Roshan Ali, Fazal Raziq, Liang Qiao

Polymeric melon, a heptazine-based carbon nitride, has attracted increasing attention as a sustainable metal-free semiconductor for electronic, optoelectronic, and energy storage applications. Yet, its fundamental optical and electronic characteristics remain debated, particularly regarding the intrinsic nature of photon absorption and the energetic positions of trap states. Here, a unified analytical framework combining Tauc analysis, Jacobian-transformed photoluminescence spectroscopy, and first-principles calculations is employed to clarify the transition mechanism and trap-state energetics in melon nanoparticles. The results reveal that photon absorption in melon arises from both an indirect and direct electronic transition depending on the selection of precursor monomers, and that shallow trap states, located near the conduction band, play a dominant role in carrier recombination dynamics. These findings reconcile longstanding inconsistencies in reported bandgaps and provide a reliable basis for interpreting optical excitation and charge-transport behavior. This integrated approach advances fundamental understanding of charge-carrier dynamics in polymeric melon and provides a broadly applicable strategy for evaluating optoelectronic processes in polymer semiconductors and related nanomaterials.

聚合物甜瓜是一种基于七嗪的氮化碳,作为一种可持续的无金属半导体,在电子、光电和储能领域的应用越来越受到人们的关注。然而,它的基本光学和电子特性仍然存在争议,特别是关于光子吸收的内在性质和陷阱态的能量位置。本文采用Tauc分析、雅可比变换光致发光光谱和第一性原理计算相结合的统一分析框架,阐明了甜瓜纳米颗粒的跃迁机制和捕获态能量学。结果表明,西瓜中的光子吸收由间接和直接的电子跃迁引起,这取决于前驱单体的选择,并且位于导带附近的浅阱态在载流子重组动力学中起主导作用。这些发现调和了长期以来报道的带隙的不一致性,并为解释光激发和电荷输运行为提供了可靠的基础。这种集成的方法促进了对聚合物甜瓜中载流子动力学的基本理解,并为评估聚合物半导体和相关纳米材料的光电过程提供了广泛适用的策略。
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引用次数: 0
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