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Tuning optical properties of diamond-like carbon films via post-thermal treatment 通过后热处理调整类金刚石碳薄膜的光学特性
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-11 DOI: 10.1007/s00339-025-09190-7
M. Eshghabadi, R. Safari, F. Sohbatzadeh, M. H. Mohammed

In recent years, many optical industries have shown interest in employing diamond-like carbon (DLC) coatings in their products. DLC layers were successfully deposited using a low frequency pulsed magnetron sputtering system on glass substrates at room temperature. Post-thermal treatments were performed on the coated substrates at various temperatures of 150 C, 200 C and 250 C. Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) revealed significant structural changes in the DLC layers as a result of the thermal post-treatment process. Additionally, the morphology of the layers was analyzed using field emission scanning electron microscopy (FESEM). Furthermore, UV-visible spectroscopy was utilized to investigate the optical properties of the films. The optical parameters of the deposited DLC layers were subsequently calculated. The results demonstrated that the optical properties of the coated DLC films could be effectively tuned through post-thermal treatment at relatively low temperatures.

近年来,许多光学工业对在其产品中使用类金刚石碳(DLC)涂层表现出兴趣。在室温下,利用低频脉冲磁控溅射系统成功地在玻璃衬底上沉积了DLC层。在150℃、200℃和250℃的不同温度下对涂层基板进行后处理,拉曼光谱和x射线光电子能谱(XPS)显示,由于热后处理过程,DLC层的结构发生了显著变化。此外,利用场发射扫描电镜(FESEM)分析了层的形貌。此外,利用紫外可见光谱对膜的光学性质进行了研究。随后计算了沉积DLC层的光学参数。结果表明,在相对较低的温度下,通过后热处理可以有效地调整涂层DLC薄膜的光学性能。
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引用次数: 0
Neural networks with bifunctional cloaking 双功能隐形的神经网络
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-10 DOI: 10.1007/s00339-025-09163-w
Muhammad Raza, Oleg Rybin, Amna Shahbaz, Najma Abdul Rehman

This work explores the connection between neural networks and cloaking systems. Specifically, it focuses on achieving bifunctional cloaking of thermal and electric fields using the wave equation and heat conduction equation. The parameters of neural networks, including the activation function, the bias function, and the weight functions, are incorporated to enhance the design of the bifunctional cloaking mechanism. The primary aim is to address various practical challenges, such as cloaking and shielding, by offering a novel approach to simplify and optimize bifunctional cloaking. A significant advantage of this principle is its ability to elucidate bifunctional cloaking for thermal and electric fields more effectively and efficiently than existing methods. To the best of our knowledge, this is the first approach to comprehensively address these challenges.

这项工作探索了神经网络和隐形系统之间的联系。具体来说,它侧重于利用波动方程和热传导方程实现热电场的双功能隐身。利用神经网络的激活函数、偏置函数和权函数等参数,加强了双功能隐身机构的设计。主要目的是通过提供一种简化和优化双功能隐身的新方法来解决各种实际挑战,例如隐身和屏蔽。该原理的一个显著优点是它能够比现有方法更有效地阐明热和电场的双功能隐身。据我们所知,这是全面应对这些挑战的第一个办法。
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引用次数: 0
Continuous wave and ultrafast laser combined annealing for efficient recrystallization of amorphous silicon 非晶硅高效再结晶的连续波和超快激光联合退火
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-10 DOI: 10.1007/s00339-025-09160-z
Seok Young Ji, Won-Sup Lee, Hyunmin Cho, Won Seok Chang

The semiconductor industry is transitioning from two-dimensional (2D) to three-dimensional (3D) structures to enhance integrated circuits’ performance and density. In this study, a dual-beam laser system combining femtosecond (Fs) and continuous wave (CW) lasers was used to efficiently recrystallize amorphous silicon into high-quality polycrystalline silicon (poly-Si). The Fs laser applies localized heat in short bursts to avoid thermal damage, while the CW laser provides sustained energy to facilitate recrystallization. Experimental results and COMSOL simulations demonstrate the dual-beam system’s effectiveness in producing poly-Si with minimal thermal impact on adjacent components. Raman spectroscopy confirms the quality of the poly-Si, showing a peak close to single-crystal silicon (518.0 cm− 1). A fabricated photodetector using nanostructured poly-Si exhibited responsivity comparable to commercial silicon photodiodes, highlighting the practical applications of our method. The dual-beam laser system offers a promising solution for future semiconductor technologies by minimizing thermal damage and ensuring effective recrystallization.

半导体产业正在从二维(2D)结构向三维(3D)结构过渡,以提高集成电路的性能和密度。在本研究中,利用飞秒(Fs)和连续波(CW)激光相结合的双光束激光系统,有效地将非晶硅再结晶为高质量的多晶硅(poly-Si)。Fs激光器在短脉冲中施加局部热量以避免热损伤,而连续波激光器提供持续能量以促进再结晶。实验结果和COMSOL模拟表明,双光束系统在生产多晶硅方面是有效的,并且对相邻组件的热影响最小。拉曼光谱证实了多晶硅的质量,显示出接近单晶硅的峰值(518.0 cm−1)。使用纳米结构多晶硅制备的光电探测器显示出与商用硅光电二极管相当的响应性,突出了我们的方法的实际应用。双光束激光系统通过最大限度地减少热损伤和确保有效的再结晶,为未来的半导体技术提供了一个有前途的解决方案。
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引用次数: 0
Resonant tunneling properties of inverse parabolic multibarrier structures: a non-equilibrium green’s function approach 反抛物型多势垒结构的共振隧穿特性:非平衡格林函数方法
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-10 DOI: 10.1007/s00339-025-09194-3
Abdurrahman Ukan, Aslı Hati̇poğlu, Mehmet Batı

We present a theoretical investigation aimed at understanding how external electric fields influence resonant tunneling and quantum transport in inverse parabolic multibarrier semiconductor heterostructures. The main problem addressed is the lack of comprehensive studies describing field-induced localization and miniband modulation in smoothly varying potential profiles. The analysis is carried out using the non-equilibrium Green’s function formalism with the finite element method, which allows accurate determination of transmission spectra, resonant energy levels, and current density-voltage characteristics. Our results highlight the strong dependence of resonant tunneling features on the structural parameters of the system, including the number of barriers, as well as the width of wells and height of barriers. It is found that increasing the number of barriers enhances the complexity of the transmission spectrum, leading to sharper resonant peaks and modified miniband formation. Furthermore, the application of an external electric field introduces a substantial shift in the resonant energy levels and significantly alters the transmission probability. Numerical results indicate that for a field-free structure, unity transmission occurs at specific resonance energies (E (:approx:) 20–250 meV for NB = 2 and 5), while under a high electric field (F = 50 kV/cm), the transmission significantly decreases and resonance peaks vanish due to wave localization. The calculated current–voltage characteristics reveal a pronounced negative differential resistance behavior. As the barrier height increases from 250 meV to 500 meV, the NDR region broadens while the peak-to-valley current ratio decreases. These findings emphasize the tunability of inverse parabolic multibarrier structures and their potential applications in high-frequency nanoelectronic and quantum device technologies.

我们提出了一项理论研究,旨在了解外电场如何影响反抛物型多势垒半导体异质结构中的共振隧道和量子输运。主要的问题是缺乏全面的研究描述场致定位和微带调制在平滑变化的电位分布。分析采用非平衡格林函数形式和有限元法进行,可以准确地确定透射光谱、谐振能级和电流密度电压特性。我们的研究结果强调了共振隧道特征与系统结构参数的强烈依赖,包括势垒的数量,以及井的宽度和势垒的高度。研究发现,增加势垒的数量增加了透射谱的复杂性,导致更尖锐的共振峰和改进的小带形成。此外,外加电场会引起谐振能级的显著位移,并显著改变传输概率。数值结果表明,对于无场结构,在特定共振能量(NB = 2和5时E (:approx:) 20 ~ 250 meV)下发生统一传输,而在高电场(F = 50 kV/cm)下,由于波局域化,传输显著降低,共振峰消失。计算出的电流-电压特性显示出明显的负差分电阻行为。当势垒高度从250 meV增加到500 meV时,NDR区域变宽,峰谷电流比减小。这些发现强调了逆抛物型多势垒结构的可调性及其在高频纳米电子和量子器件技术中的潜在应用。
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引用次数: 0
Plasmonic metasurface-integrated graphene/InGaAs heterostructures for high-efficiency broadband photodetection 等离子体超表面集成石墨烯/InGaAs异质结构用于高效宽带光探测
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-08 DOI: 10.1007/s00339-025-09197-0
Anuj Kumar, Ghanendra Kumar, Chakresh Kumar

Graphene and III–V semiconductor heterostructures have emerged as promising materials for high-performance photodetectors due to their broadband absorption, ultrafast carrier dynamics, and compatibility with advanced nanophotonic architectures. Leveraging these material strengths, in this work we have designed and analyzed a plasmonic metasurface-integrated graphene/InGaAs heterojunction photodetector to exploit material-driven light–matter interactions. Using COMSOL Multiphysics®, the optical and electrical responses are systematically analyzed across the C + L band. The proposed device achieves a peak responsivity of 0.82 A/W, external quantum efficiency above 90%, and a detectivity of ~ 1.3 × 1012 Jones at zero bias, supporting self-powered operation. in addition, we demonstrate a 3-dB bandwidth greater than 60 GHz and energy consumption less than 0.01 mW (< 1 fJ/bit), representing a major advancement compared to regular graphene/InGaAs structures. The increase in performance comes from the field confinement from plasmon resonance produced by metallic nanodisk metasurfaces, which significantly increase absorption and carrier transport inside the heterostructure. Taken together, these results validate the promise of a metasurface engineered graphene/InGaAs platform for next-generation optoelectronic and integrated photonic devices.

石墨烯和III-V型半导体异质结构由于其宽带吸收、超快载流子动力学和与先进纳米光子结构的兼容性而成为高性能光电探测器的有前途的材料。利用这些材料的优势,在这项工作中,我们设计并分析了等离子体超表面集成石墨烯/InGaAs异质结光电探测器,以利用材料驱动的光-物质相互作用。使用COMSOL Multiphysics®,系统地分析了C + L波段的光学和电学响应。该器件的峰值响应率为0.82 a /W,外量子效率在90%以上,零偏下的探测率为1.3 × 1012 Jones,支持自供电工作。此外,我们还展示了大于60 GHz的3db带宽和低于0.01 mW (< 1 fJ/bit)的能耗,与常规石墨烯/InGaAs结构相比,这是一个重大进步。金属纳米片超表面产生的等离子体共振产生的场约束,显著增加了异质结构内部的吸收和载流子输运。综上所述,这些结果验证了用于下一代光电和集成光子器件的超表面工程石墨烯/InGaAs平台的前景。
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引用次数: 0
A machine learning approach to predicting resonance frequency in soft magnetic composites 预测软磁复合材料共振频率的机器学习方法
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-04 DOI: 10.1007/s00339-025-09175-6
Tarik Sadat

The resonance frequency of the Fe/MgO system has been modeled by investigating the influence of processing parameters, including MgO nanoparticle size (10–1000 nm), pressing pressure (600–1250 MPa), sintering temperature (0–900 °C), sintering time (0–60 min), and annealing atmosphere (air, nitrogen, or no annealing). The resonance frequency (0.9–3300 kHz) was successfully predicted using machine learning (Extreme Gradient Boosting (XGBoost), Gradient Boosting (GB), and random forest (RF)) models. The models achieved an R-squared (R²) of 0.99, thereby explaining 99% of the variance. The predictive accuracy of the models was further assessed using Root Mean Squared Error (RMSE) and Mean Absolute Error (MAE). High R² values and consistently low RMSE and MAE scores demonstrate the robustness of the models for modeling resonance frequency. This work highlights key factors for optimizing the resonance frequency of Fe/MgO systems. SHAP values and feature importance analyses identified time and temperature as the most influential parameters across all models. The notable impacts of time and temperature indicate that optimizing the sintering process can lead to significant enhancements in material performance. The critical role of sintering parameters in optimizing the resonance properties of Fe/MgO systems, paving the way for improved material performance in high-frequency magnetic applications.

通过研究MgO纳米颗粒尺寸(10-1000 nm)、压制压力(600-1250 MPa)、烧结温度(0-900℃)、烧结时间(0-60 min)和退火气氛(空气、氮气或不退火)对Fe/MgO体系共振频率的影响,建立了Fe/MgO体系的共振频率模型。使用机器学习(极端梯度增强(XGBoost)、梯度增强(GB)和随机森林(RF))模型成功预测了共振频率(0.9-3300 kHz)。这些模型的R平方(R²)为0.99,从而解释了99%的方差。使用均方根误差(RMSE)和平均绝对误差(MAE)进一步评估模型的预测准确性。高R²值和持续的低RMSE和MAE分数表明模型对共振频率的建模具有稳健性。这项工作强调了优化Fe/MgO系统共振频率的关键因素。SHAP值和特征重要性分析确定时间和温度是所有模型中最具影响力的参数。时间和温度的显著影响表明,优化烧结工艺可以显著提高材料的性能。烧结参数在优化Fe/MgO体系共振特性中的关键作用,为提高材料在高频磁性应用中的性能铺平了道路。
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引用次数: 0
Green synthesis of Gold nanoparticles via Annona muricata fruit extract: antioxidant, and antidiabetic potential 绿色合成金纳米粒子的番荔枝果实提取物:抗氧化,和降糖的潜力
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-04 DOI: 10.1007/s00339-025-09164-9
Ekhlas A. Abdulkareem, Rusul Alabada, Nuha F. Abd Al-Karim, Ali M. Mohammad, Zaid T. Khodair

Applying green synthesis methods to produce nanoparticles is a crucial strategy to minimise the negative effects sometimes associated with traditional processes. Gold nanoparticles (AuNPs)s were synthesised using Annona muricata fruit extract. The nanoparticles were further examined using several analytical methods, including UV–Vis, FTIR spectroscopy, FE-SEM, TEM, XRD, and zeta potential. They were analyzed for their antioxidant and antidiabetic characteristics. The effective synthesis of the AuNPs was visually confirmed by a gradual change in colour, starting from a pale yellow to a deep ruby red hue. The UV–Vis spectra exhibited a distinct peak at 530 nm, confirming the initial validation of the biosynthesised AuNPs. The FTIR spectrum was utilized to identify various functional groups that could potentially participate in the synthesis, Stabilisation, and capping of AuNPs. The FE-SEM image revealed the presence of AuNPs exhibiting a combination of spherical and triangular morphologies, with dimensions ranging from 30 to 40 nm without aggregation. TEM confirmed the spherical morphology, while XRD analysis highlighted the crystalline structure, and zeta potential confirmed the stability of the particles. DPPH, total antioxidant and ABTS methods were used to measure the antioxidant properties of A. muricata, AuNPs, and gallic acid, respectively. AuNPs showed higher free radical scavenging activity IC50 values of 25 µg/mL, 22 µg/mL, and 20 µg/mL compared to 30 µg/mL, 28 µg/mL, 25 µg/mL for Gallic acid and 45 µg/mL, 40 µg/mL, 48 µg/mL for A. muricata aqueous extract, respectively. Nanoparticles exhibited α-glucosidase strong inhibition of IC50 of 43 μg/mL and α-amylase inhibition with IC50 of 36 μg/mL, compared to fruit extracts. AuNPs synthesised by green methods exhibited the strongest antioxidant and antidiabetic properties compared to a plant extract. AuNPs prepared using A. muricata can be enhanced by modifying their surfaces with targeting molecules, thereby improving their precision in delivering drugs to diseased cells and increasing their therapeutic efficacy, which paves the way towards safer and targeted nanotherapies for chronic diseases.

应用绿色合成方法生产纳米粒子是一种关键的策略,可以最大限度地减少有时与传统工艺相关的负面影响。以番荔枝果提取物为原料合成金纳米颗粒(AuNPs)。采用UV-Vis, FTIR, FE-SEM, TEM, XRD和zeta电位等分析方法对纳米颗粒进行了进一步的研究。分析了它们的抗氧化和抗糖尿病特性。从视觉上看,aunp的有效合成通过颜色的逐渐变化得到了证实,颜色从淡黄色到深宝石红色。紫外可见光谱在530 nm处有一个明显的峰,证实了生物合成AuNPs的初步验证。FTIR光谱用于鉴定可能参与aunp合成、稳定和封顶的各种功能基团。FE-SEM图像显示,AuNPs具有球形和三角形的组合形态,尺寸在30 ~ 40 nm之间,没有聚集。TEM证实了颗粒的球形形貌,XRD分析证实了颗粒的晶体结构,zeta电位证实了颗粒的稳定性。采用DPPH法、总抗氧化法和ABTS法分别测定木参、AuNPs和没食子酸的抗氧化性能。与没食子酸的30µg/mL、28µg/mL、25µg/mL和田中水提物的45µg/mL、40µg/mL、48µg/mL相比,AuNPs的IC50值分别为25µg/mL、22µg/mL和20µg/mL,具有更高的自由基清除活性。与水果提取物相比,纳米颗粒对α-葡萄糖苷酶的IC50为43 μg/mL,对α-淀粉酶的IC50为36 μg/mL。与植物提取物相比,绿色方法合成的AuNPs具有最强的抗氧化和抗糖尿病特性。利用村竹制备的AuNPs可以通过靶向分子修饰其表面,从而提高其向病变细胞输送药物的精度,提高其治疗效果,从而为更安全、更有针对性的慢性疾病纳米治疗铺平道路。
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引用次数: 0
Effect of thermal annealing on nonlinear optical properties of MoS2 quantum dots decorated graphene oxide nanosheets 热退火对氧化石墨烯纳米片MoS2量子点非线性光学性能的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-04 DOI: 10.1007/s00339-025-09133-2
P. K. Kasana, Akanksha Pandey, Tanuja Mohanty

In this study, the effect of thermal annealing on the optical and non-linear optical properties of MoS2 quantum dots decorated graphene oxide (MoS2QDs/GO) has been reported. The MoS2 quantum dots (MoS2QDs) and graphene oxide were separately synthesized by chemical exfoliation method followed by decoration of MoS2QDs on graphene oxide (GO) thin film by dip coating method. In the next step, the MoS2QDs/GO samples were annealed at temperature 300 °C, 500 °C and 600 °C in an ambient environment. The structural and morphological studies were carried out using FESEM, TEM and AFM techniques. The homogeneous spreading of MoS2QDs on large surface area GO nanosheets was confirmed from FESEM and TEM images. AFM images reveal the thickness of MoS2QDs/GO are in the range of nanometers. The optical absorption measurement done using UV visible spectroscopy has revealed a gradual shift of band edge with increasing annealing temperature. The vibrational properties of GO and MoS2QDs/GO samples were studied using Raman spectroscopic measurements. More importantly Z scan measurements exhibit enhanced nonlinear optical (NLO) performance in annealed samples. This enhancement is attributed to increased π–π conjugation and stronger electronic coupling between MoS₂QDs and GO after annealing. Our study highlights the potential of annealed MoS2QDs/GO nanocomposites for advanced optical limiters, laser protection systems, and next-generation photonic devices.

本研究报道了热退火对氧化石墨烯修饰的MoS2量子点(MoS2QDs/GO)光学和非线性光学性质的影响。采用化学剥离法分别合成了MoS2量子点(MoS2QDs)和氧化石墨烯,然后用浸涂法在氧化石墨烯(GO)薄膜上修饰MoS2QDs。下一步,将MoS2QDs/GO样品在300°C, 500°C和600°C的环境环境中退火。利用FESEM、TEM和AFM技术对其结构和形态进行了研究。FESEM和TEM图像证实了MoS2QDs在大表面积氧化石墨烯纳米片上的均匀扩散。AFM图像显示,MoS2QDs/GO的厚度在纳米范围内。利用紫外可见光谱进行的光学吸收测量显示,随着退火温度的升高,带边逐渐移动。利用拉曼光谱研究了氧化石墨烯和MoS2QDs/GO样品的振动特性。更重要的是,Z扫描测量在退火样品中表现出增强的非线性光学(NLO)性能。这种增强是由于退火后MoS₂量子点和GO之间的π -π共轭和更强的电子耦合。我们的研究强调了退火MoS2QDs/GO纳米复合材料在先进光学限制器、激光保护系统和下一代光子器件方面的潜力。
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引用次数: 0
Impact of transient current on transfer curve in organic electrochemical transistors 瞬态电流对有机电化学晶体管传递曲线的影响
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-04 DOI: 10.1007/s00339-025-09090-w
Hélio José Lucas Jr, José Pedro Mansueto Serbena, Keli Fabiana Seidel

Understanding transient ion dynamics in electrolyte-gated transistors (EGTs) is essential for predicting their electrical behavior. Ions respond slower than charge carriers to electric fields, sometimes causing transient currents that disrupt steady-state operation. Although prior studies focused on transient current and transient time, achieving steady-state conditions during transfer and output curve measurements remains challenging, indicating gaps in the understanding of ion-charge carrier interactions. This work investigates electrical characterization rather than device structure, revealing how scan rate significantly influences transfer curves in organic electrochemical transistors (OECTs), with transient currents impacting its performance. To do it, we fabricated well-established EGTs based on the semiconducting polymer poly(3-hexylthiophene-2,5diyl) (P3HT), focusing on understanding the fundamental processes that occur in device operation rather than optimizing materials or device structure. We also highlight the importance of reporting measurement history, since increasing and decreasing scan rate sequences yield asymmetric results due to retention effects, likely from ion doping. The transient time ((tau)) was analyzed under square-wave gate voltages, showing to depend also on gate bias, whether into accumulation or transition between accumulation and depletion regimes. These findings demonstrate that EGT’s performance is influenced by charge transport regime transitions, scan rates, and prior measurements. Notably, a retention effect suggests that performing a transfer curve at a low scan rate induces permanent changes, which can then be leveraged in subsequent OECT’s measurements to achieve faster response time. This study provides new insights into optimizing EGT’s operation through controlled ion dynamics.

了解电解门控晶体管(EGTs)中的瞬态离子动力学是预测其电学行为的关键。离子对电场的反应比电荷载流子慢,有时会引起瞬态电流,破坏稳态运行。尽管先前的研究主要集中在瞬态电流和瞬态时间上,但在传输和输出曲线测量过程中实现稳态条件仍然具有挑战性,这表明对离子-电荷载流子相互作用的理解存在空白。这项工作研究了电特性而不是器件结构,揭示了扫描速率如何显著影响有机电化学晶体管(OECTs)的传递曲线,瞬态电流影响其性能。为此,我们基于半导体聚合物聚(3-己基噻吩-2,5二基)(P3HT)制备了成熟的egt,重点是了解器件操作中发生的基本过程,而不是优化材料或器件结构。我们还强调了报告测量历史的重要性,因为增加和减少扫描速率序列会产生不对称的结果,这可能是由于离子掺杂的保留效应。在方波栅极电压下分析了瞬态时间((tau)),结果表明,无论是进入积累状态,还是在积累和耗尽状态之间过渡,瞬态时间也取决于栅极偏置。这些发现表明,EGT的性能受到电荷输运态转变、扫描速率和先前测量的影响。值得注意的是,保留效应表明,在低扫描速率下执行传输曲线会产生永久性变化,然后可以在随后的OECT测量中利用这些变化来实现更快的响应时间。该研究为通过控制离子动力学优化EGT操作提供了新的见解。
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引用次数: 0
Identification of abiotic stress in Psidium guajava plant sample using LIBS method combined with machine learning approach 利用LIBS法结合机器学习方法鉴定瓜爪哇番石榴植物样品中的非生物胁迫
IF 2.8 4区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-12-03 DOI: 10.1007/s00339-025-09166-7
Veerappan Kaliyaperumal, Sathiesh Kumar Vajravelu, Aiswarya Justin, Thangaraja Maruthaiah

The primary objective of this study is to demonstrate the feasibility of employing Laser-Induced Breakdown Spectroscopy (LIBS) in combination with machine learning algorithms for the identification and assessment of abiotic stress in plants. The machine learning approaches considered are multilinear regression (MLR), support vector regression (SVR), partial least squares regression (PLSR), least absolute shrinkage and selection operator (LASSO), and Gaussian process regression (GPR). The stress condition (based on nutrient content - Ca and K) in the sample is also estimated using the calibration-free LIBS (CF-LIBS) method. The experiments are carried out by varying the laser irradiances and stand-off plasma collection distances. It is observed that the Ca concentration in the normal sample is higher than the K concentration, regardless of the incident laser irradiance and stand-off plasma collection distance. The opposite trend is observed in abiotically stressed samples. A clear distinction is observed between normal and abiotically stressed samples in the LIBS spectrum. The GPR method trained on normalized dataset ((dfrac{I_{lambda }}{I_{656 nm}})) resulted in achieving better estimate of Ca and K in normal (R(^{varvec{2}}) = 0.94, Ca = 47891 (varvec{pm }) 1895 ppm; R(^{varvec{2}}) = 0.90, K= 21234 (varvec{pm })2147 ppm) and abiotic stressed samples (R(^{varvec{2}}) = 0.92, Ca = 38715 (varvec{pm }) 1985 ppm; R(^{varvec{2}}) = 0.91, K = 57857 (varvec{pm }) 2458 ppm). The CF-LIBS based Ca and K estimate (SoD= 0.5 m, irradiance = 2.5x10(^{varvec{10}}) W/cm(^{varvec{2}})) is in agreement with GPR method trained on normalised dataset, and atomic emission spectroscopy (AES) measurements. The normalized LIBS dataset yielded zero misclassification when evaluated using the Random Forest classifier. The study concluded that the normalized LIBS–GPR model can be adapted for real-time operation following calibration of SoD and laser irradiance.

本研究的主要目的是证明将激光诱导击穿光谱(LIBS)与机器学习算法相结合用于植物非生物胁迫识别和评估的可行性。考虑的机器学习方法是多元线性回归(MLR),支持向量回归(SVR),偏最小二乘回归(PLSR),最小绝对收缩和选择算子(LASSO)和高斯过程回归(GPR)。利用无校准LIBS (CF-LIBS)方法估计了样品中的应力条件(基于营养成分- Ca和K)。实验是通过改变激光辐照度和隔离等离子体收集距离来进行的。观察到,无论入射激光辐照度和离体等离子体采集距离如何,正常样品中的Ca浓度均高于K浓度。在非生物应力样品中观察到相反的趋势。在LIBS光谱中观察到正常和非生物应力样品之间的明显区别。在归一化数据集((dfrac{I_{lambda }}{I_{656 nm}}))上训练的GPR方法在正常(R (^{varvec{2}}) = 0.94, Ca = 47891 (varvec{pm }) 1895 ppm; R (^{varvec{2}}) = 0.90, K= 21234 (varvec{pm }) 2147 ppm)和非生物应力样品(R (^{varvec{2}}) = 0.92, Ca = 38715 (varvec{pm }) 1985 ppm; R (^{varvec{2}}) = 0.91, K= 57857 (varvec{pm }) 2458 ppm)中获得了较好的Ca和K估计。基于CF-LIBS的Ca和K估计(SoD= 0.5 m,辐照度= 2.5x10 (^{varvec{10}}) W/cm (^{varvec{2}}))与在归一化数据集和原子发射光谱(AES)测量上训练的GPR方法一致。当使用随机森林分类器进行评估时,规范化的LIBS数据集产生零错误分类。研究表明,标准化的LIBS-GPR模型可以在校准SoD和激光辐照度后适应实时操作。
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Applied Physics A
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