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Annealing Temperature-Driven Evolution of Structure, Morphology, and Optical Behavior in Cu-TiO2 Composite Films Cu-TiO2复合薄膜的结构、形貌和光学行为的退火温度驱动演化
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-28 DOI: 10.1007/s12633-025-03452-y
K. Ozel, S. Gürakar, T. Serin, A. Yildiz

In the present study, we investigate how varying annealing temperatures affect the structural, morphological, and optical properties of copper-titanium oxide composite films deposited on quartz substrates. A range of characterization techniques, including X-ray diffraction, Raman spectroscopy, scanning electron microscopy, atomic force microscopy, and UV–Vis spectroscopy, were employed to analyze the changes in film characteristics. The results demonstrate that annealing temperature plays a critical role in determining the film’s structural integrity, surface morphology, and optical behavior. The crystallite size increased from 16.97 nm at 500 °C to 68.07 nm at 900 °C, while surface roughness rose significantly, reaching 148 nm at 1000 °C. In addition, SEM analysis showed that particle size expanded from 12.55 nm at 400 °C to 603.60 nm at 900 °C. Notably, a strong relationship was found between film transparency and these physical properties, with optical transmittance decreasing from approximately 69% at 400 °C to around 2% at 1000 °C. Based on the findings, the study proposes optimal annealing conditions for achieving high-quality thin films.

在本研究中,我们研究了不同的退火温度如何影响沉积在石英衬底上的铜-氧化钛复合薄膜的结构、形态和光学性能。利用x射线衍射、拉曼光谱、扫描电子显微镜、原子力显微镜和紫外可见光谱等表征技术分析了薄膜特性的变化。结果表明,退火温度对薄膜的结构完整性、表面形貌和光学性能起着至关重要的作用。晶粒尺寸从500℃时的16.97 nm增加到900℃时的68.07 nm,表面粗糙度显著提高,1000℃时达到148 nm。此外,SEM分析表明,在400℃时,颗粒尺寸从12.55 nm扩大到900℃时的603.60 nm。值得注意的是,薄膜透明度与这些物理性质之间存在很强的关系,光学透射率从400°C时的约69%下降到1000°C时的约2%。在此基础上,提出了制备高质量薄膜的最佳退火条件。
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引用次数: 0
The effects of Si content on Si–C interaction, Bonding Electrons, Magnetic Moment and C Atom Diffusion in Fe-Si Alloy: First-principles Study Si含量对Fe-Si合金中Si - C相互作用、成键电子、磁矩和C原子扩散的影响:第一性原理研究
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-28 DOI: 10.1007/s12633-025-03456-8
Cunwang Li, Chunlei Bai, Cuijiao Ding, Fuyong Su

Fe-Si alloy is an important soft magnetic alloy material in industrial production. Fe-Si alloy must be decarburized in the production process. Decarburization can not only improve the magnetic properties of the alloy itself, but also improve the corrosion resistance and processing performance of the alloy. The essence of decarburization is the diffusion of C atoms in the Fe-Si alloy. Therefore, it is very significant to study the diffusion process of C atoms in Fe-Si alloy. In this paper, the influence of Si content on the diffusion of C atoms is studied by first-principles. The interaction between C atoms and Si, the properties of bonding electrons in Fe-Si alloy and the diffusion barrier of C atoms are obtained. At the same time, the linear relationship between the diffusion barrier of C atom and Si content was obtained when the Si content was 1.56 at.% ~ 5.47 at.%. Through this linear relationship, the relationship between the diffusion coefficient of C atom and Si content and temperature is also obtained. Finally, the diffusion constant, diffusion coefficient and diffusion activation energy of C atoms in Fe-Si alloy were obtained by expression calculation, and the influence of Si content and temperature on the diffusion process of C atoms was quantitatively analyzed.

铁硅合金是工业生产中重要的软磁合金材料。铁硅合金在生产过程中必须进行脱碳处理。脱碳不仅可以改善合金本身的磁性能,还可以提高合金的耐腐蚀性和加工性能。脱碳的实质是碳原子在铁硅合金中的扩散。因此,研究C原子在Fe-Si合金中的扩散过程具有十分重要的意义。本文用第一性原理研究了Si含量对C原子扩散的影响。得到了C原子与Si的相互作用、Fe-Si合金中键合电子的性质以及C原子的扩散势垒。同时,在Si含量为1.56 At .% ~ 5.47 At .%范围内,得到了C原子的扩散势垒与Si含量之间的线性关系。通过这种线性关系,得到了C原子的扩散系数与Si含量和温度之间的关系。最后,通过表达式计算得到了Fe-Si合金中C原子的扩散常数、扩散系数和扩散活化能,并定量分析了Si含量和温度对C原子扩散过程的影响。
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引用次数: 0
Effect of Additive-Free Acidic Saw Damage Removal on Silicon Surface Morphology and Interface Electronic Properties in Heterojunction Solar Cells 无添加剂酸锯损伤去除对异质结太阳能电池硅表面形貌和界面电子性能的影响
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-27 DOI: 10.1007/s12633-025-03455-9
Manisha Siwach, Shrestha Bhattacharya, Shahnawaz Alam, Silajit Manna, Ashutosh Pandey, Son Pal Singh, Vamsi Krishna Komarala

This study examines the effect of acidic versus alkaline saw damage removal (SDR) processes on the silicon surface morphology, interface electronic properties, and performance of silicon heterojunction (SHJ) solar cells, without employing any additional additives during SDR. Acidic SDR, using a simple mixture of HF, HNO₃, and CH₃COOH, produced uniformly etched surfaces that led to well-defined pyramid structures after alkaline texturization. This improved morphology enhanced surface passivation, resulting in a higher effective minority carrier lifetime of ~ 2.0 ms from ~ 1.2 ms and a reduction in the c-Si/a-Si:H interface defect density (Dit) to ~ 1.16 × 10⁹ from ~ 2.1 × 10⁹ cm⁻2 eV⁻1 compared to alkaline SDR. SHJ solar cells fabricated with the acidic SDR approach achieved superior performance, with a power conversion efficiency of ~ 22.0%, open-circuit voltage of ~ 733 mV, and fill factor of ~ 77.72%, outperforming those using alkaline SDR, having ~ 20.5%, ~ 730 mV, and ~ 76.04%, respectively. These findings demonstrate that even in the absence of chemical additives, acidic SDR effectively improves wafer surface morphology and device performance, offering an efficient approach for SHJ solar cell fabrication.

本研究考察了酸性和碱性锯损伤去除(SDR)工艺对硅异质结(SHJ)太阳能电池的硅表面形貌、界面电子性能和性能的影响,在SDR过程中不使用任何额外的添加剂。酸性SDR使用HF、HNO₃和CH₃COOH的简单混合物,产生均匀的蚀刻表面,在碱性织构后形成明确的金字塔结构。与碱性SDR相比,这种改进的形貌增强了表面钝化,导致有效少数载流子寿命从~ 1.2 ms提高到~ 2.0 ms, c-Si/a- si:H界面缺陷密度(Dit)从~ 2.1 × 10⁹cm⁻2 eV⁻1降低到~ 1.16 × 10⁹。酸性SDR法制备的SHJ太阳能电池的功率转换效率为~ 22.0%,开路电压为~ 733 mV,填充系数为~ 77.72%,优于碱性SDR法制备的SHJ太阳能电池(分别为~ 20.5%、~ 730 mV和~ 76.04%)。这些发现表明,即使在没有化学添加剂的情况下,酸性SDR也能有效地改善晶圆表面形貌和器件性能,为SHJ太阳能电池的制造提供了一种有效的方法。
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引用次数: 0
Correction to: Design and Theoretical Study of One-Dimensional Photonic Crystal Sensors for Refractive Index and Incident Angle 修正:折射率和入射角一维光子晶体传感器的设计与理论研究
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-17 DOI: 10.1007/s12633-025-03448-8
Ahmed K. S. AbuAltayef, Anas A. M. Alqanoo, Sofyan A. Taya, K. H. Ibnaouf
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引用次数: 0
Three-Dimensional Simulation of MHD Oscillatory Mixed Convection and Impurity Transport in Czochralski Melt Under Different Magnetic Field Configurations 不同磁场构型下Czochralski熔体MHD振荡混合对流及杂质输运的三维模拟
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-08 DOI: 10.1007/s12633-025-03426-0
Ruinian Peng, Hongming Tang, Jian Wu

The Czochralski (CZ) method is a vital technique for producing single-crystal silicon, which is the foundation of high-efficiency solar panels for renewable energy applications. However, complex melt flow dynamics and impurity transport to the crystal growth interface can lead to defects in the silicon ingot, affecting the performance of solar cells. To address these challenges, external magnetic fields are employed to control melt flow and impurity distribution. In present study, a 3D magnetohydrodynamic (MHD) mixed convection model for the CZ crystal growth process is adopted. The numerical simulations are presented for various Hartmann numbers under transverse magnetic field (TMF) and cusp magnetic field (CMF) configurations, with fixed Richardson number and Reynolds number. The melt oscillation, flow structure, and oxygen concentration under TMF and CMF configurations are compared. CMF exerts a stronger suppression of the melt fluctuation than TMF configuration at the same Hartmann number around crucible bottom area. A periodic flow behavior is observed under CMF at Ha = 20. For TMF configuration, the damping effect due to Lorentz force is mainly exhibited on locations perpendicular to the magnetic field, which causes an un-axisymmetric temperature and velocity field. Oxygen concentration under CMF is significantly reduced compared with TMF cases. An elliptical shape oxygen radial distribution is observed under TMF, and forms a (theta ) angle with direction perpendicular to the magnetic field. Additionally, a uniform radial distribution is observed in central crystal region at high Hartmann number TMF cases. This research provides valuable insights into optimizing the CZ process for producing high-purity single-crystal silicon under magnetic field approaches, thereby enhancing the performance and reliability of single crystal silicon wafers for photovoltaic and semiconductor applications.

CZ法是生产单晶硅的关键技术,而单晶硅是可再生能源应用的高效太阳能电池板的基础。然而,复杂的熔体流动动力学和杂质向晶体生长界面的迁移会导致硅锭中的缺陷,影响太阳能电池的性能。为了解决这些问题,采用外部磁场来控制熔体流动和杂质分布。本研究采用三维磁流体动力学(MHD)混合对流模型来模拟CZ晶体生长过程。给出了在理查德森数和雷诺数固定的情况下,横磁场(TMF)和尖磁场(CMF)构型下不同Hartmann数的数值模拟。比较了TMF和CMF两种构型下的熔体振荡、流动结构和氧浓度。在相同的哈特曼数下,CMF对坩埚底部周围熔体波动的抑制作用强于TMF。在Ha = 20的CMF条件下,观察到周期性流动行为。对于TMF构型,洛伦兹力的阻尼效应主要表现在垂直于磁场的位置,导致温度场和速度场的非轴对称。与TMF相比,CMF下氧浓度明显降低。氧在TMF下呈椭圆形径向分布,并与磁场方向垂直成(theta )角。此外,在高哈特曼数TMF情况下,中心晶区呈均匀的径向分布。该研究为优化磁场法下生产高纯度单晶硅的CZ工艺提供了有价值的见解,从而提高了光伏和半导体应用单晶硅片的性能和可靠性。
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引用次数: 0
Mechanism of Disproportionation Preparation of Dimethyldichlorosilane by ZSM-5(8T)@NH2-MIL-53(Al) Core–Shell Catalyst ZSM-5(8T)@NH2-MIL-53(Al)核壳催化剂歧化制备二甲基二氯硅烷的机理
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-08-29 DOI: 10.1007/s12633-025-03444-y
Wenyuan Xu, Yuquan Wang, Kehan Wu, Linhong Bao, Yu Xu, Zhili Fang, Wenling Zha, Xi Chen, Zejing Chen

Dimethyldichlorosilane, an essential monomer in organosilicon synthesis, is often referred to as the "industrial monosodium glutamate". Traditional direct synthesis methods generate substantial by-products compromising the purity of dimethyldichlorosilane products, while disproportionation reactions enable the conversion of these by-products into the target compound. The catalytic mechanisms governing dimethyldichlorosilane disproportionation over both the pristine ZSM-5(8 T)@NH2-MIL-53(Al) framework and its AlCl3-functionalized derivative were computationally elucidated through M06-2X/def2-TZVP density functional theory (DFT) calculations, employing the Minnesota series hybrid functional protocol. Structural optimizations were performed on the molecular models followed by energy and vibrational frequency calculations. Comprehensive analytical methodologies encompassing bond order analysis, Electron Localization Function (ELF), Intrinsic Reaction Coordinate (IRC) tracking, and Localized Orbital Locator (LOL) revealed that the core–shell catalyst architecture incorporating Lewis acidic AlCl3 exhibited significantly enhanced performance in the disproportionation reaction.

二甲基二氯硅烷是有机硅合成中必不可少的单体,通常被称为“工业味精”。传统的直接合成方法会产生大量的副产物,影响二甲二氯硅烷产品的纯度,而歧化反应使这些副产物转化为目标化合物。采用明尼苏达系列杂化泛函协议,通过M06-2X/def2-TZVP密度泛函理论(DFT)计算,对原始ZSM-5(8 T)@NH2-MIL-53(Al)框架及其alcl3功能化衍生物的二甲二氯硅烷歧化催化机理进行了计算阐明。对分子模型进行了结构优化,并进行了能量和振动频率计算。结合键序分析、电子定位函数(ELF)、本征反应坐标(IRC)跟踪和定域轨道定位(LOL)等综合分析方法表明,加入Lewis酸性AlCl3的核壳催化剂结构在歧化反应中表现出显著增强的性能。
{"title":"Mechanism of Disproportionation Preparation of Dimethyldichlorosilane by ZSM-5(8T)@NH2-MIL-53(Al) Core–Shell Catalyst","authors":"Wenyuan Xu,&nbsp;Yuquan Wang,&nbsp;Kehan Wu,&nbsp;Linhong Bao,&nbsp;Yu Xu,&nbsp;Zhili Fang,&nbsp;Wenling Zha,&nbsp;Xi Chen,&nbsp;Zejing Chen","doi":"10.1007/s12633-025-03444-y","DOIUrl":"10.1007/s12633-025-03444-y","url":null,"abstract":"<div><p>Dimethyldichlorosilane, an essential monomer in organosilicon synthesis, is often referred to as the \"industrial monosodium glutamate\". Traditional direct synthesis methods generate substantial by-products compromising the purity of dimethyldichlorosilane products, while disproportionation reactions enable the conversion of these by-products into the target compound. The catalytic mechanisms governing dimethyldichlorosilane disproportionation over both the pristine ZSM-5(8 T)@NH<sub>2</sub>-MIL-53(Al) framework and its AlCl<sub>3</sub>-functionalized derivative were computationally elucidated through M06-2X/def2-TZVP density functional theory (DFT) calculations, employing the Minnesota series hybrid functional protocol. Structural optimizations were performed on the molecular models followed by energy and vibrational frequency calculations. Comprehensive analytical methodologies encompassing bond order analysis, Electron Localization Function (ELF), Intrinsic Reaction Coordinate (IRC) tracking, and Localized Orbital Locator (LOL) revealed that the core–shell catalyst architecture incorporating Lewis acidic AlCl<sub>3</sub> exhibited significantly enhanced performance in the disproportionation reaction.\u0000</p></div>","PeriodicalId":776,"journal":{"name":"Silicon","volume":"17 17","pages":"3803 - 3816"},"PeriodicalIF":3.3,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145930821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Using electroless etching, the optical and electrical properties of conical silicon nanowires were fabricated and studied 采用化学刻蚀法制备了锥形硅纳米线的光学和电学性能
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-08-27 DOI: 10.1007/s12633-025-03441-1
A. A. Elamin, A. Almalki

Silicon nanowires (SiNWs) were fabricated by electroless etching of n-type Si (100) wafer in HF/AgNO3. High-density, vertically stacked silicon nanowires are formed on silicon substrates. The paper also discusses nanostructures in solar cells and compares several potential technologies for improving photovoltaic performance. The maximum recorded reflectance of silicon nanowires is about 19.2%, which is much lower than that of silicon substrate (65.1%). Through the results, in the near-ultraviolet region, the minimum reflection reaches about 3.5%, while in the visible infrared region it reaches 9.8%. It was also found that the calculated band gap energy of silicon nanowires is slightly higher than the energy of the silicon substrate The I–V characteristics of the independent silicon nanowires exhibit a linear ohmic behavior for forward bias. The average resistance of silicon nanowires is about 12.9 Ω cm. Using experimental reflectance spectra, the optical properties of different types of conical silicon nanowires (SiNWs) were investigated and the effective refractive index (n) was obtained for both the conical silicon nanowire samples and the silicon nanowire group. Under AM 1.5G illumination, the device exhibits a short circuit current density (Jsc) of 13.4 mA/cm2, an open circuit voltage (Voc) of 0.479 V and a fill factor (FF) of 43.4%, giving a power conversion efficiency of 2.89%. The observed Jsc is higher than that of the control device with planar Si p–n junction, indicating a significant improvement in carrier generation and collection efficiency of the palanr structure. The effect of series resistance (Rs) was also studied.

在HF/AgNO3中化学刻蚀n型Si(100)晶圆制备了硅纳米线。在硅衬底上形成高密度、垂直堆叠的硅纳米线。本文还讨论了太阳能电池中的纳米结构,并比较了几种改善光伏性能的潜在技术。硅纳米线的最大反射率约为19.2%,远低于硅衬底的65.1%。结果表明,在近紫外区,最小反射率达到3.5%左右,而在可见红外区,最小反射率达到9.8%。计算得到的硅纳米线的带隙能量略高于硅衬底的带隙能量,独立硅纳米线的I-V特性在正向偏置下表现为线性欧姆行为。利用实验反射光谱研究了不同类型的锥形硅纳米线(SiNWs)的光学特性,得到了锥形硅纳米线样品和硅纳米线组的有效折射率(n)。在AM 1.5G照明下,该器件的短路电流密度(Jsc)为13.4 mA/cm2,开路电压(Voc)为0.479 V,填充系数(FF)为43.4%,功率转换效率为2.89%。观察到的Jsc高于具有平面Si p-n结的控制装置,表明palanr结构的载流子生成和收集效率显著提高。对串联电阻(Rs)的影响也进行了研究。
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引用次数: 0
Investigation of Cement Mortars Added Silicon Carbide Under Various Hydrochloric Acid Exposure Conditions 不同盐酸条件下水泥砂浆中添加碳化硅的性能研究
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-08-25 DOI: 10.1007/s12633-025-03438-w
Dilan Cankal, José Henriques, Bart Ruttens, Ali Ugur Ozturk, Jan D’Haen, Gokhan Altıntas

In this study, the effects of silicon carbide (SiC) addition on the properties of cement mortars subjected to hydrochloric acid (HCl) exposure were evaluated. The primary objective was to assess the mechanical performance and durability enhancement of cement mortars incorporating SiC under aggressive acidic conditions. Cement mortars were prepared by replacing aggregates with SiC at ratios of 0%, 5%, 10%, and 15%, and were exposed to 10% HCl solution under three distinct environmental conditions: continuous immersion in acid, alternating periods in air, and water exposure. To evaluate acid resistance, the mass and compressive strength losses of the mortar specimens were measured before and after acid exposure. Additionally, micro-computed tomography (micro-CT) was conducted to examine internal microstructural changes. Results from mechanical tests and micro-CT analysis revealed that the incorporation of SiC significantly reduced the degradation of the cement matrix by densifying the microstructure and lowering porosity, thereby enhancing resistance to acid attack. These findings suggest that SiC can serve as an effective additive for improving the durability of cementitious materials in acidic environments.

在本研究中,评估了碳化硅(SiC)添加对经受盐酸(HCl)暴露的水泥砂浆性能的影响。主要目的是评估在强酸性条件下加入SiC的水泥砂浆的机械性能和耐久性增强。水泥砂浆是用SiC代替骨料,比例分别为0%、5%、10%和15%,并在三种不同的环境条件下暴露于10%的HCl溶液中:连续浸泡在酸中、交替浸泡在空气中和暴露在水中。为了评估耐酸性能,测定了酸暴露前后砂浆试样的质量损失和抗压强度损失。此外,显微计算机断层扫描(micro-CT)检查内部微结构变化。力学测试和微ct分析结果表明,SiC的掺入通过致密化微观结构和降低孔隙率,显著减少水泥基体的降解,从而增强了抗酸侵蚀能力。这些结果表明,SiC可以作为一种有效的添加剂,提高胶凝材料在酸性环境中的耐久性。
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引用次数: 0
Non-Invasive Optical Diabetes Detection Using a Hybrid Layout of Microresonator and Mach–Zehnder Interferometer 基于微谐振器和马赫-曾德干涉仪混合布局的无创光学糖尿病检测
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-08-22 DOI: 10.1007/s12633-025-03404-6
Kangping Yi

Conventional methods of blood glucose monitoring typically require finger pricking to obtain a blood sample, which can be both painful and uncomfortable. Additionally, environmental factors can impact the accuracy and performance of glucose meters and test strips of diabetic patients. We introduce a novel non-invasive lab-on-chip device with an ultra-high sensitivity for routine blood sugar monitoring in diabetic patients, utilizing a patient's tear instead of blood samples to avoid daily unpleasant tests. The proposed sensor leverages the ultra-high sensitivity of the Mach–Zehnder interferometer and the linear response of the Microring resonator, which takes advantage of hybrid single and double-slot optimized waveguides. By employing the delay line signal approach and the Z-transform, a formula was developed to survey the system's overall transmittance. The results were simulated using the variational FDTD method, and an ultra-high sensitivity of 1092 nm/RIU with a high detection precision of 1.8 × 10⁻5 RIU was achieved using varFDTD simulation for the sensor. Results simulated for various concentrations of tears and can rapidly differentiate between diabetic and normal tears. The proposed sensor has various advantages, including a quick and painless detection procedure, high precision, and a wide performance range, all of which are desirable in an ideal lab-on-a-chip device.

传统的血糖监测方法通常需要刺破手指来获取血液样本,这既痛苦又不舒服。此外,环境因素会影响糖尿病患者血糖仪和试纸的准确性和性能。我们介绍了一种新型的非侵入性芯片实验室设备,具有超高灵敏度,用于糖尿病患者的常规血糖监测,利用患者的眼泪而不是血液样本,以避免日常不愉快的测试。该传感器利用了Mach-Zehnder干涉仪的超高灵敏度和微环谐振器的线性响应,并利用了混合单槽和双槽优化波导。利用延迟线信号法和z变换,建立了测量系统整体透射率的公式。采用变分时域有限差分法对该传感器进行仿真,获得了1092 nm/RIU的超高灵敏度和1.8 × 10 - 5 RIU的高检测精度。结果模拟了不同浓度的泪液,可以快速区分糖尿病和正常泪液。所提出的传感器具有各种优点,包括快速无痛的检测过程,高精度和广泛的性能范围,所有这些都是理想的芯片实验室设备所需要的。
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引用次数: 0
Design and Performance Analysis of GaAs-based DG JL VTFET for Ammonia Gas Sensing 氨气传感用gaas基DG JL VTFET的设计与性能分析
IF 3.3 3区 材料科学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-08-22 DOI: 10.1007/s12633-025-03434-0
Sajjad Hossain, Zahid Hasan

In this study, a Double Gate (DG) Junction Less (JL) Vertical Tunnel FET(VTFET) structure with GaAs as Channel material is designed with catalytic metals as gate contacts and analyzed using Silvaco ATLAS TCAD simulation software for ammonia gas sensing. The vertical double-sided gate architecture provides better gate controllability over conventional TFETs for band-to-band tunneling (BTBT). Here GaAs is introduced in the channel which improves device sensitivity performance because of its rich physics like high electron mobility, and high band gap compared to more conventional semiconductor Silicon. P + pockets are created near the source region by using work function values and n-type doping of 1 × 1019 cm−3 is used in the channel region. The n-channel JL VTFET with Cobalt (Co) and Molybdenum (Mo) metals as gate contacts are analyzed for ammonia gas sensing. Characteristics of the proposed device structure are studied considering the electric field, surface potential, energy band diagram, and Id-Vg characteristics curves by taking into account the adsorption of gas molecules. Due to the presence of gas on the gate metal, the work function changes which varies the Off-current (Ioff), On-current (Ion), and threshold voltage (Vth) as these are considered as sensitivity parameters for sensing ammonia gas molecules. The length of the channel and the dielectric materials are also varied to see the change in sensitivities of the device. While comparing Silicon and GaAs-based DG JL VTFET gas sensor the simulation results demonstrate that the sensitivity, on/off current ratio of the GaAs-based device increases by varying the work function of catalytic metal gates cobalt and molybdenum by 50, 100, 150, and 200 meV.

本文设计了一种以GaAs为通道材料的双栅(DG)结少(JL)垂直隧道场效应管(VTFET)结构,以催化金属为栅极触点,并利用Silvaco ATLAS TCAD仿真软件对其进行了分析。垂直双面栅极结构提供了比传统tfet更好的栅极可控性,用于带到带隧道(BTBT)。与传统的半导体硅相比,由于其丰富的物理特性,如高电子迁移率和高带隙,因此在通道中引入了GaAs,从而提高了器件的灵敏度性能。利用功函数值在源区附近形成P +口袋,并在通道区使用1 × 1019 cm−3的n型掺杂。分析了以钴(Co)和钼(Mo)金属为栅极触点的n沟道JL型VTFET的氨气传感性能。考虑气体分子的吸附作用,结合电场、表面电位、能带图和Id-Vg特性曲线,研究了所提出器件结构的特性。由于栅极金属上存在气体,功函数发生变化,使关断电流(Ioff),通流(Ion)和阈值电压(Vth)发生变化,因为这些被认为是传感氨气分子的灵敏度参数。通道的长度和介质材料也可以改变,以观察器件灵敏度的变化。通过对比硅基和gaas基DG JL VTFET气体传感器,仿真结果表明,当催化金属栅极钴和钼的功函数分别改变50、100、150和200 meV时,gaas基器件的灵敏度和通断电流比均有所提高。
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引用次数: 0
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