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Clustering-enhanced supervised learning for nanophotonic design 纳米光子设计的聚类强化监督学习
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-27 DOI: 10.1007/s11082-025-08580-8
Ali Al-Zawqari, Gerd Vandersteen, Francesco Ferranti

The field of photonics has experienced significant progress due to the exploration and integration of machine learning techniques that can be used to model complex electromagnetic behavior as a function of wavelengths and design parameters. Data samples are extracted from electromagnetic simulators, and the resulting data are used by machine-learning algorithms to build efficient and accurate surrogate models that can be used to speed up design tasks. In this work, we propose a novel hybrid technique that integrates supervised and unsupervised learning. The wavelength variable is included in the input space of the design parameters, and a clustering approach identifies a set of wavelength intervals. This interval information is assigned to a categorical variable and encoded as an input. Finally, a supervised deep learning model is built to link the input space with the electromagnetic behavior of interest. We also explore how including physics-informed regularization smooths the model’s predictions. Extensive numerical experiments validate the method.

由于机器学习技术的探索和集成,光子学领域取得了重大进展,机器学习技术可用于将复杂的电磁行为建模为波长和设计参数的函数。从电磁模拟器中提取数据样本,机器学习算法使用所得数据构建高效准确的替代模型,可用于加快设计任务。在这项工作中,我们提出了一种新的混合技术,集成了监督学习和无监督学习。波长变量包含在设计参数的输入空间中,并采用聚类方法识别一组波长间隔。此间隔信息被分配给一个分类变量并编码为输入。最后,建立了一个监督深度学习模型,将输入空间与感兴趣的电磁行为联系起来。我们还探讨了包含物理信息的正则化如何平滑模型的预测。大量的数值实验验证了该方法的有效性。
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引用次数: 0
Elucidating the absorption and performance of acetone gas sensor detection using ITO coated D-shape optical fiber at visible region 研究了ITO包覆d型光纤在可见光区检测丙酮气体传感器的吸收和性能
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-27 DOI: 10.1007/s11082-025-08584-4
Nur Aina’a Mardhiah Zainuddin, Chew Sue Ping, Latifah Sarah Supian, Sulaiman Wadi Harun, Rozalina Zakaria, Leong Kin Yuen, N. Ayyanar, M. S. Mani Rajan

Acetone detection is essential in industrial, pharmaceutical, and environmental applications due to its toxicity at elevated concentrations. This study reports the fabrication and optical analysis of a D-shaped fiber optic sensor coated with indium tin oxide (ITO, 10 nm), gold (Au, 40 nm), and bilayer Au: ITO (40:10 nm) thin films for room-temperature acetone sensing. The D-shaped geometry was produced via controlled mechanical polishing, while thin films were deposited using high-vacuum electron-beam evaporation. The sensing mechanism is governed by evanescent-field absorption and wavelength-resolved spectral modulation induced by acetone adsorption. Under static testing conditions across 0–870 ppm, the ITO coating achieved a sensitivity of 16 at 350 ppm (LOD = 66 ppm), Au exhibited 14 at 350 ppm (LOD = 75 ppm), and Au: ITO demonstrated 10.2 at 700 ppm (LOD = 205.9 ppm). The bilayer structure enhanced spectral stability at higher gas concentrations. The proposed low-cost, compact, and non-electrical configuration demonstrates strong potential for selective, real-time acetone vapor monitoring in industrial and environmental settings.

丙酮检测在工业、制药和环境应用中是必不可少的,因为它在高浓度下具有毒性。本研究报告了一种d型光纤传感器的制作和光学分析,该传感器由氧化铟锡(ITO, 10 nm),金(Au, 40 nm)和双层Au: ITO (40:10 nm)薄膜包裹,用于室温丙酮传感。d形几何形状是通过受控的机械抛光产生的,而薄膜是通过高真空电子束蒸发沉积的。传感机制由丙酮吸附引起的倏逝场吸收和波长分辨光谱调制控制。在0-870 ppm的静态测试条件下,ITO涂层在350 ppm (LOD = 66 ppm)下的灵敏度为16,Au涂层在350 ppm (LOD = 75 ppm)下的灵敏度为14,Au: ITO涂层在700 ppm (LOD = 205.9 ppm)下的灵敏度为10.2。在较高的气体浓度下,双层结构增强了光谱稳定性。提出的低成本、紧凑和非电气配置显示了在工业和环境设置中选择性、实时丙酮蒸汽监测的强大潜力。
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引用次数: 0
Modulating MoS2 conductivity through nitrogen doping: a spray-coating approach to P-type 2D semiconductors 通过氮掺杂调制MoS2电导率:p型二维半导体的喷涂方法
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-27 DOI: 10.1007/s11082-025-08586-2
Thomas Vicart, Youssef Doubi, Bouchra Asbani, Nitul Rajput, Ahmed Kotbi, Mimoun El Marssi, My Ali El Khakani, Mustapha Jouiad

Molybdenum disulfide (MoS2) thin films have emerged as highly promising materials for next-generation electronic and optoelectronic applications owing to their exceptional electronic tunability, strong light-matter interactions, and compatibility with large-area fabrication. While pristine MoS2 typically exhibits intrinsic n-type conductivity, nitrogen doping provides an effective means to tailor its electronic structure and induce stable p-type behavior. In this work, nitrogen-doped MoS2 thin films were successfully fabricated using a simple, cost-effective, and scalable spray-coating approach, enabling uniform doping over large areas under mild processing conditions. Comprehensive structural characterization confirms the polycrystalline nature of the films and the coexistence of mixed-phase 1T (metallic) and 2H (semiconducting) MoS2, whose relative proportions evolve systematically with nitrogen incorporation. X-ray photoelectron spectroscopy evidences efficient nitrogen incorporation, up to 4.83 at%, via substitutional and interstitial mechanisms, resulting in local lattice distortion and partial 1T-phase stabilization. Electrical characterization of back-gated field-effect transistors based on the as-deposited films reveals a clear transition to p-type conduction, with a maximum hole mobility of 3.1 cm2·V⁻1·s⁻1. The results demonstrate that nitrogen incorporation effectively modulates the band structure and carrier type in MoS2 while maintaining film integrity. This study establishes nitrogen doping via spray coating as a practical and scalable route to engineer the conduction type and electronic properties of MoS2, paving the way for its integration into low-cost, flexible, and large-area 2D electronic and optoelectronic devices.

二硫化钼(MoS2)薄膜由于其优异的电子可调性、强光-物质相互作用以及与大面积制造的兼容性,已成为下一代电子和光电子应用中非常有前途的材料。而原始的二硫化钼通常表现出固有的n型电导率,氮掺杂提供了定制其电子结构和诱导稳定的p型行为的有效手段。在这项工作中,氮掺杂的二硫化钼薄膜成功地使用了一种简单、经济、可扩展的喷涂方法,在温和的加工条件下实现了大面积均匀掺杂。综合结构表征证实了薄膜的多晶性质以及混合相1T(金属)和2H(半导体)MoS2的共存,其相对比例随着氮的掺入而系统地演变。x射线光电子能谱证明了氮的有效掺入,高达4.83 at%,通过取代和间隙机制,导致局部晶格畸变和部分1t相稳定。基于沉积薄膜的背门控场效应晶体管的电特性揭示了向p型传导的明显转变,最大空穴迁移率为3.1 cm2·V·s毒枭。结果表明,氮的掺入有效地调节了MoS2中的能带结构和载流子类型,同时保持了薄膜的完整性。本研究确立了通过喷涂方式掺杂氮作为一种实用且可扩展的途径来设计MoS2的导电类型和电子性能,为其集成到低成本、柔性和大面积的二维电子和光电子器件中铺平了道路。
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引用次数: 0
Synthesis, DFT and TD-DFT study of the nonlinear optical and electronic properties of new quinoxaline acceptors for dye-sensitized solar cells 染料敏化太阳能电池新型喹啉受体的合成、DFT及TD-DFT非线性光学和电子性质研究
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-25 DOI: 10.1007/s11082-025-08563-9
Nosrat Madadi Mahani, Fatemeh Mostaghni

This study explores the synthesis and properties of two newly developed di-anchoring organic sensitizers featuring quinoxaline acceptors for dye-sensitized solar cells, employing Density Functional Theory (DFT) and its time-dependent counterpart (TD-DFT). The aim is to evaluate their capacity to deliver promising photovoltaic performance alongside significant nonlinear optical (NLO) properties, which hold potential for optoelectronic applications. Comprehensive computational analyses were undertaken, including assessments of HOMO-LUMO characteristics, UV absorption spectra, density of states (DOS), molecular electrostatic potential (MEP), and reduced density gradient (RDG) mapping for the innovative sensitizers. The HOMO and LUMO energy levels were analyzed to highlight their critical role in enhancing electron injection efficiency and facilitating dye regeneration. Key parameters such as energy gaps (Eg) and open-circuit photovoltage (Voc) were examined to glean insights into the chemical reactivity of the studied molecules. Moreover, studied quinoxalines demonstrated high dipole moments, strong linear polarizabilities, and noteworthy hyperpolarizabilities, indicating their potential as efficient NLO materials. The findings spotlight these organic sensitizers as viable candidates for integration into dye-sensitized solar cells while underscoring their performance capabilities in NLO applications. This research contributes to the systematic development of advanced dyes, offering a pathway to further improving DSSC efficiency.Unlike earlier quinoxaline-based sensitizers that predominantly utilized alkoxy or short thiophene π-bridges, the current dyes incorporate extended conjugation and more robust electron-withdrawing substituents on the quinoxaline acceptor. These advancements lead to a deeper LUMO level, greater electron injection driving force, and enhanced light absorption in the visible spectrum. The synergy of structural planarization and refined electronic properties sets these sensitizers apart from prior designs, resulting in higher predicted Voc values and superior interfacial charge transfer performance.

本研究利用密度泛函理论(DFT)及其时间相关理论(TD-DFT),探讨了染料敏化太阳能电池中两种新开发的喹诺啉受体双锚定有机敏化剂的合成和性能。目的是评估它们提供有前途的光伏性能以及重要的非线性光学(NLO)特性的能力,这些特性具有光电应用的潜力。进行了全面的计算分析,包括评估HOMO-LUMO特性、紫外吸收光谱、态密度(DOS)、分子静电势(MEP)和降低密度梯度(RDG)映射。分析了HOMO和LUMO能级,强调了它们在提高电子注入效率和促进染料再生中的关键作用。关键参数,如能量间隙(Eg)和开路光电压(Voc)进行了检查,以收集对所研究分子的化学反应性的见解。此外,所研究的喹诺啉类化合物表现出高偶极矩、强线性极化性和显著的超极化性,表明它们具有作为高效NLO材料的潜力。这些发现突出了这些有机敏化剂作为染料敏化太阳能电池的可行候选物,同时强调了它们在NLO应用中的性能能力。该研究有助于先进染料的系统开发,为进一步提高DSSC效率提供了途径。与早期主要利用烷氧基或短噻吩π桥的喹诺啉基敏化剂不同,当前的染料在喹诺啉受体上结合了扩展共轭和更强健的吸电子取代基。这些进步导致更深的LUMO水平,更大的电子注入驱动力,并增强可见光光谱中的光吸收。结构平面化和精细电子特性的协同作用使这些敏化剂与先前的设计不同,从而产生更高的预测Voc值和优越的界面电荷转移性能。
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引用次数: 0
Effect of electron initial energy on radiation characteristics of cross collisions between circularly polarized Gaussian laser pulses and moderate-energy electrons 电子初始能量对圆偏振高斯激光脉冲与中能量电子交叉碰撞辐射特性的影响
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-22 DOI: 10.1007/s11082-025-08574-6
Jiajun Chen, Yizhang Li, Youwei Tian

In the field of research on the interaction between electrons and laser pulses, existing studies focus on the radiation characteristics under specific parameter conditions. However, research into the effects of a wider range of parameter changes is lacking. Within the classical electromagnetism framework, this paper employs numerical simulation methods to systematically investigate the influence of electron initial energy variations on the radiation characteristics produced during their cross-collisions with Gaussian laser pulses. Meanwhile the relationship between the peak radiated power of electron and the beam waist radius, the electron emission position and the initial energy of the electron is analyzed. The temporal distribution, spatial distribution and frequency spectrum of electron radiation is also compared and analyzed. The results show that under tight focusing conditions of the laser pulse, the radiation of moderate-energy electrons exhibit asymmetry, and the asymmetry of the radiation gradually weakens as the electron initial energy and the laser beam waist radius increase. For moderate-energy electrons, the rise in initial energy results in a rise in the peak radiated power of electron and a broadening of the spectral band pass. This study focuses on how the initial energy of electron affects nonlinear Thomson scattering, providing a new perspective for studying the cross-collision between electrons and the laser pulse.

在电子与激光脉冲相互作用的研究中,现有的研究主要集中在特定参数条件下的辐射特性。然而,缺乏对更大范围参数变化的影响的研究。在经典电磁学框架内,采用数值模拟方法系统研究了电子初始能量变化对高斯激光脉冲交叉碰撞辐射特性的影响。同时,分析了电子的峰值辐射功率与束腰半径、电子发射位置和电子初始能量的关系。并对电子辐射的时间分布、空间分布和频谱进行了比较分析。结果表明:在激光脉冲紧密聚焦条件下,中能量电子的辐射呈现不对称性,且随着电子初始能量和激光束腰半径的增大,辐射的不对称性逐渐减弱;对于中能量电子,初始能量的增加导致电子的峰值辐射功率的增加和光谱带通的拓宽。研究了电子初始能量对非线性汤姆逊散射的影响,为研究电子与激光脉冲的交叉碰撞提供了新的视角。
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引用次数: 0
A new structure of magneto-optic cylindrical plasmonic isolator 磁光圆柱形等离子体隔离器的新结构
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-22 DOI: 10.1007/s11082-025-08578-2
Zahra Mansouri, Mehdi Khatir, Mohammad Naser-Moghadasi, Ghafar Darvish

This article investigates the propagation characteristics of magneto-optic cylindrical waveguides, focusing on their potential for developing optical isolators through the distinct propagation behaviors in forward and backward directions. By analyzing the interaction of light with magneto-optic materials, it is shown how intrinsic asymmetry can be utilized to achieve effective isolation. A modified cylindrical waveguide structure is proposed, which enhances isolation performance, achieving an isolation ratio of 12 dB with an insertion loss of 3.8 dB at a wavelength of 1550 nm. The results provide deeper insight into the mechanisms governing wave propagation in magneto-optic systems and pave the way for practical implementations in optical communication and signal processing. This work highlights the potential of custom-engineered cylindrical waveguides for advancing magneto-optical device technologies.

本文研究了磁光圆柱波导的传播特性,重点讨论了磁光圆柱波导在正向和反向上的不同传播特性在开发光隔离器方面的潜力。通过分析光与磁光材料的相互作用,显示了如何利用本征不对称性来实现有效的隔离。提出了一种改进的圆柱波导结构,提高了隔离性能,在1550 nm波长处实现了12 dB的隔离比和3.8 dB的插入损耗。研究结果为磁光系统中控制波传播的机制提供了更深入的见解,并为光通信和信号处理的实际实现铺平了道路。这项工作突出了定制设计的圆柱形波导在推进磁光器件技术方面的潜力。
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引用次数: 0
An integrated WDM FSO–PON network enabling long- and short-reach fiber-wireless transmission 一种集成的WDM FSO-PON网络,可实现长距离和短距离光纤无线传输
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-21 DOI: 10.1007/s11082-025-08576-4
Yu-Heng Lin, Chien-Hung Yeh, Shien-Kuei Liaw, Wen-Piao Lin, Zi-Gang Huang, Nai-Yi Lu

This study presents a hybrid wavelength-division-multiplexing passive optical network (WDM–PON) architecture incorporating free-space optical (FSO) transmission to enable flexible short- and long-reach fiber connectivity. To enable bidirectional WDM FSO traffic transmission, the available wavelength band can be divided into four windows to mitigate Rayleigh backscattering-induced interferometric noise. Moreover, the proposed FSO–PON network can provide the short and long-reach fiber-FSO signal transmission simultaneously through same distributed fiber path. In the measurement setup, 24 WDM wavelengths are allocated across four distinct bands, which are interchangeable for both downlink and uplink transmission. Each band supports transmission over fiber spans ranging from short- to long-reach distances. Here, the performance of each FSO wavelength is systematically characterized and discussed. Furthermore, the power sensitivity obtained for each WDM FSO signal under the forward error correction criterion indicates that the redundant power budget is adequate to sustain reliable wireless FSO transmission.

本研究提出一种结合自由空间光(FSO)传输的混合波分复用无源光网络(WDM-PON)架构,以实现灵活的短距离和长距离光纤连接。为了实现双向WDM FSO业务传输,可用波段可以分为四个窗口,以减轻瑞利反向散射引起的干涉噪声。此外,所提出的FSO-PON网络可以通过相同的分布式光纤路径同时提供短距离和长距离的光纤- fso信号传输。在测量设置中,24个WDM波长被分配到四个不同的频段,这些频段对于下行链路和上行链路传输都是可互换的。每个频带都支持从短距离到长距离的光纤传输。在这里,系统地描述和讨论了每个FSO波长的性能。此外,在前向纠错准则下获得的每个WDM FSO信号的功率灵敏度表明,冗余功率预算足以维持可靠的无线FSO传输。
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引用次数: 0
Nonlinear planar interface waveguide structure combining the nonlinear and graded-index properties 结合非线性和梯度折射率特性的非线性平面界面波导结构
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-21 DOI: 10.1007/s11082-025-08569-3
S. E. Savotchenko

New features of localized state formation near nonlinear planar defect are found and analyzed. Equations modeling a thin-film slab structure with nonlinear properties separating gradient crystal with a hyperbolic profile of the refractive index and the Kerr nonlinear crystal, which can be considered as a planar optical waveguide, are formulated. The problem use the nonlinear Schrödinger equation where the propagation constant is the eigenvalue corresponding to the transverse electric field distribution (the wave function). The exact solutions to the formulated problem and dispersion equations describing the localized and excited states in the cases of self-focusing and defocusing nonlinear responses of the Kerr nonlinear crystal are obtained. Combinations of defect parameter signs, in which an increase or decrease in the depth of field penetration into crystals is observed, as well as a change in the magnitude of its intensity are indicated. The influence of the hyperbolic gradient profile parameters on the dispersion curves and the shape of the spatial distribution of the field are described.

发现并分析了非线性平面缺陷附近局部态形成的新特征。建立了具有非线性特性的薄膜板状结构的方程,将折射率呈双曲曲线的梯度晶体与可视为平面光波导的克尔非线性晶体分离。该问题使用非线性Schrödinger方程,其中传播常数是与横向电场分布(波函数)相对应的特征值。得到了克尔非线性晶体在自聚焦和离聚焦非线性响应情况下,描述局域态和激发态的方程组和色散方程的精确解。缺陷参数符号的组合,其中的增加或减少的场渗透到晶体的深度被观察到,以及其强度的变化幅度表示。描述了双曲梯度剖面参数对色散曲线和场空间分布形状的影响。
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引用次数: 0
Design and performance analysis of multi-channel random encryption system based on WDM-structured chaotic carriers 基于wdm结构混沌载波的多信道随机加密系统设计与性能分析
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-21 DOI: 10.1007/s11082-025-08571-9
Jingqi Yin, Xuefang Zhou

To enhance the transmission capacity and security of confidential optical communication systems, this paper proposes and demonstrates a multi-channel random chaotic encryption scheme that adopts the wavelength division multiplexing (WDM) concept solely for parallel chaos generation. Unlike conventional WDM communication systems, our approach utilizes a WDM-structured array of chaotic carriers for encryption but does not rely on WDM for the underlying data transmission. A single dual-laser source with optical feedback is used to generate a complex chaotic seed, which is then demultiplexed and modulated to form multiple encrypted channels. This architecture enables dynamic random encryption across these independent channels, significantly expanding the key space. Simulation results show a stable 40 Gbit/s OOK signal encryption over 100 km, with excellent error rate optimization and robustness under challenging conditions, such as parameter mismatch conditions and supercritical conditions. The proposed multi-channel architecture surpasses traditional single-channel chaotic communication systems by enhancing both communication capacity and confidentiality. This research lays the groundwork for applying chaotic optical communication in complex settings, with potential uses in military communications, intelligent sensing networks, and future 6G technology.

为了提高机密光通信系统的传输容量和安全性,本文提出并论证了一种多通道随机混沌加密方案,该方案仅采用波分复用(WDM)概念进行并行混沌生成。与传统的WDM通信系统不同,我们的方法利用WDM结构化的混沌载波阵列进行加密,但不依赖于WDM进行底层数据传输。采用带光反馈的单一双激光源产生复杂的混沌种子,然后将其解复用和调制形成多个加密信道。这种体系结构支持跨这些独立通道的动态随机加密,大大扩展了密钥空间。仿真结果表明,该算法在100 km范围内实现了40gbit /s OOK信号的稳定加密,在参数失配和超临界条件下具有良好的错误率优化和鲁棒性。所提出的多信道结构优于传统的单信道混沌通信系统,提高了通信容量和保密性。该研究为混沌光通信在复杂环境中的应用奠定了基础,在军事通信、智能传感网络和未来6G技术中具有潜在的应用前景。
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引用次数: 0
Hydrogenated Janus XMoY (X = S, Se, Te; Y = N, P, As) monolayers: a novel family of multifunctional semiconductors for spintronics and visible-light photodetection 氢化Janus XMoY (X = S, Se, Te; Y = N, P, As)单层:用于自旋电子学和可见光光电探测的新型多功能半导体
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2025-11-19 DOI: 10.1007/s11082-025-08567-5
Samaneh Soleimani-Amiri

Janus 2D materials attract significant scientific interest because of their unique physical properties. This article uses first-principles calculations to present a novel class of Janus monolayers XMoYH (X = S, Se, Te; Y = N, P, As) and systematically explore their electronic, spintronic, and optoelectronic potential. Cohesive energy and phonon calculations confirm the stability of all nine possible XMoYH monolayers. SMoNH is the most stable, with the lowest cohesive energy of − 8.18 eV. All studied monolayers exhibit semiconducting behavior, with PBE bandgaps of 1.02–1.92 eV and HSE-calculated gaps of 1.37–2.36 eV. A pronounced electrostatic potential asymmetry (Δϕ = 0.71–2.77 eV) is observed across the thickness of the Janus monolayers. Janus XMoYH monolayers exhibit Zeeman and Rashba spin splittings near K/Γ points due to Mo’s d-orbital spin-orbit coupling and asymmetric structure, making them promising for valleytronics and spintronics. XMoYH monolayers also exhibit strong absorption capabilities, with coefficients reaching up to 3 × 105 cm−1 in the visible range and as high as 7 × 105 cm−1 in the near-ultraviolet region. Driven by strong light absorption, the potential of XMoYH monolayers as p–i–n photodetector channels is investigated. SMoNH, SeMoNH, and SeMoAsH show peak photocurrent densities of 40.5, 22.2, and 14.4 A/m2 for near-UV detection, while TeMoAsH, with 7.1 A/m2, is promising for infrared detection. In addition, the XMoYH p–i–n photodetectors exhibit peak photoresponsivity (Rph) between 0.23 and 0.64 A/W, underscoring the significant promise of the proposed monolayers for use in photodetection devices.

Janus 2D材料因其独特的物理特性而吸引了大量的科学兴趣。本文利用第一性原理计算提出了一类新的Janus单层XMoYH (X = S, Se, Te; Y = N, P, As),并系统地探索了它们的电子、自旋电子和光电子势。内聚能和声子计算证实了所有九种可能的XMoYH单层的稳定性。SMoNH最稳定,其黏结能最低,为−8.18 eV。所有研究的单层膜都表现出半导体行为,PBE的带隙为1.02-1.92 eV, sse计算的带隙为1.37-2.36 eV。在双面膜厚度上观察到明显的静电势不对称性(Δϕ = 0.71-2.77 eV)。由于Mo的d轨道自旋轨道耦合和不对称结构,Janus XMoYH单层膜在K/Γ点附近表现出Zeeman和Rashba自旋分裂,使其成为谷电子学和自旋电子学的理想材料。XMoYH单层膜也表现出很强的吸收能力,在可见光范围内的系数高达3 × 105 cm−1,在近紫外区域的系数高达7 × 105 cm−1。在强光吸收的驱动下,研究了XMoYH单层膜作为p-i-n光电探测器通道的潜力。SMoNH、SeMoNH和SeMoAsH的峰值光电流密度分别为40.5、22.2和14.4 A/m2,可用于近紫外检测,而TeMoAsH的峰值光电流密度为7.1 A/m2,有望用于红外检测。此外,XMoYH p-i-n光电探测器的峰值光响应率(Rph)在0.23至0.64 A/W之间,强调了所提出的单层用于光电探测器件的重大前景。
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引用次数: 0
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