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Theoretical Investigation of the Interaction of DNA Nucleobases on Monolayer 1H-WSe2 and Janus 1H-WSSe for Advanced Sequencing Technology: A Density Functional Theory Study DNA核碱基在单层1H-WSe2和Janus 1H-WSSe上相互作用的理论研究:密度泛函理论研究
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-21 DOI: 10.1007/s11664-026-12671-x
Muhammad Oktavian Dharma Setyawan, Nailus Syarifah, Phahul Zhemas Zul Nehan, Andyan Rafi Setopratama

The growing demand for advanced DNA sequencing technologies has stimulated the exploration of novel two-dimensional (2D) materials with exceptional physicochemical properties. In this study, the interactions between DNA nucleobases (adenine, thymine, guanine, and cytosine) and 1H-WSe2 and Janus 1H-WSSe monolayers were investigated using density functional theory with the OpenMX code. The structural, electronic, and optical properties of the nucleobase–substrate systems were systematically analyzed to assess their potential for sequencing applications. Structural relaxation results reveal physisorption behavior, evidenced by minimal bond length changes upon adsorption. Binding energy calculations indicate that guanine exhibits the strongest interaction with 1H-WSe2 (G > T > A > C), whereas thymine shows the strongest binding on Janus 1H-WSSe (T > A > C = G). Charge density difference and Mulliken population analyses confirm weak charge transfer dominated by van der Waals interactions. Density-of-states analysis demonstrates that adsorption does not alter the semiconducting nature of either substrate, preserving their intrinsic electronic characteristics. Optical analyses reveal anisotropic dielectric responses, where pristine 1H-WSe2 exhibits zero-crossing energies at approximately 6.29 eV and 7.19 eV for the out-of-plane (Ec) polarization and 8.37 eV and 9.03 eV for the in-plane (Ec) polarization. Janus 1H-WSSe shows slightly higher values at around 6.74 and 7.66 eV (Ec) and 8.81 and 9.75 eV (Ec). These results highlight the fact that both materials maintain high optical responsiveness with tunable plasmonic excitations upon nucleobase adsorption. Overall, monolayer 1H-WSe2 and Janus 1H-WSSe exhibit stable physisorption and favorable optoelectronic features, making them promising candidates for next-generation DNA sequencing platforms.

Graphical Abstract

对先进DNA测序技术日益增长的需求刺激了对具有特殊物理化学性质的新型二维(2D)材料的探索。在这项研究中,利用密度泛函理论和OpenMX代码研究了DNA核碱基(腺嘌呤、胸腺嘧啶、鸟嘌呤和胞嘧啶)与1H-WSe2和Janus 1H-WSSe单层之间的相互作用。系统地分析了核碱基-底物体系的结构、电子和光学性质,以评估其测序应用的潜力。结构松弛结果揭示了物理吸附行为,吸附时最小的键长变化证明了这一点。结合能计算表明,鸟嘌呤与1H-WSe2的相互作用最强(G > T > A >; C),而胸腺嘧啶与Janus 1H-WSSe的结合最强(T > A > C = G)。电荷密度差和Mulliken总体分析证实了范德华相互作用主导的弱电荷转移。态密度分析表明,吸附不会改变任何衬底的半导体性质,保留其固有的电子特性。光学分析揭示了各向异性的介电响应,其中原始的h - wse2在面外(E∥c)极化中表现出约6.29 eV和7.19 eV的过零能量,在面内(E⊥c)极化中表现出8.37 eV和9.03 eV的过零能量。Janus h - wsse的值略高,约为6.74和7.66 eV (E∥c), 8.81和9.75 eV (E⊥c)。这些结果强调了这样一个事实,即两种材料在核碱基吸附时都能在可调等离子体激发下保持高的光学响应性。总体而言,单层1H-WSe2和Janus 1H-WSSe表现出稳定的物理吸附和良好的光电特性,使它们成为下一代DNA测序平台的有希望的候选者。图形抽象
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引用次数: 0
Electrostatic Analysis of AlN/GaN HEMTs Using β-Ga2O3 Buffer on SiC and β-Ga2O3 Wafers for 5G/6G Wireless Infrastructure and Future Sub-THz Applications 在SiC和β-Ga2O3晶圆上采用β-Ga2O3缓冲材料制备的用于5G/6G无线基础设施和未来亚太赫兹应用的AlN/GaN HEMTs的静电分析
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-21 DOI: 10.1007/s11664-026-12678-4
B. Mounika, J. Ajayan, Amit Krishna Dwivedi, Pankaj Sharma, Shuxiang Sun

In this work, a recessed T-gated AlN/GaN-HEMT with a β-Ga2O3 buffer is proposed and compared with conventional buffer configurations, including Fe-doped GaN/AlGaN structures with and without back-barriers (BBs), to evaluate their influence on direct-current (DC) and radiofrequency (RF) performance. The electrostatic analysis of HEMT with β-Ga2O3-buffer reveals a peak gm of 431.5 mS/mm, an Id_peak of 1.90 A/mm, an Ids_sat of 2.42 A/mm, and an fT of 197.1 GHz owing to better carrier confinement, reduced parasitic effects, minimal buffer leakage, and the high crystalline quality of the β-Ga2O3/GaN interface. We investigated the impact of barrier material selection and observed that an AlN barrier offered better performance, attributed to stronger polarization-induced charge, followed by Al0.83In0.17N, and Alx​Ga1−xN, with a gradual decline as the Al composition decreased. The AlN/GaN/β-Ga2O3/β-Ga2O3-HEMT with Lg = 40 nm delivered a maximum gm of 538.5 mS/mm, an Id_peak of 3.22 A/mm, and an fT of 469.6 GHz, along with an Ids_sat of 3.49 A/mm, benefiting from improved lattice compatibility. Notably, this structure eliminates the need for additional BB layers and AlN nucleation, offering both performance and fabrication advantages. The AlN/GaN/β-Ga2O3/SiC-HEMT also delivered competitive performance, providing a compelling combination of thermal conductivity, material stability, and integration feasibility, while remaining cost-effective. These results offer valuable design insights for AlN/GaN-HEMT development and contribute to ongoing efforts toward enhancing GaN-HEMT performance through the integration of ultrawide bandgap (UWBG) β-Ga2O3 buffers, making it highly suitable for next-generation 5G/6G wireless infrastructure, sub-THz high-speed communication systems, and advanced radar applications.

在这项工作中,提出了一种具有β-Ga2O3缓冲的嵌入式t门控AlN/GaN- hemt,并与传统的缓冲配置进行了比较,包括具有和不具有背垒(BBs)的掺铁GaN/AlGaN结构,以评估其对直流(DC)和射频(RF)性能的影响。采用β-Ga2O3缓冲材料制备的HEMT的静电分析结果表明,由于β-Ga2O3/GaN界面具有较好的载流子约束、较低的寄生效应、较低的缓冲泄漏和较高的结晶质量,HEMT的峰值gm为431.5 mS/mm, Id_peak为1.90 a /mm, Ids_sat为2.42 a /mm, fT为197.1 GHz。我们研究了势垒材料选择的影响,发现AlN势垒具有较强的极化诱导电荷,其次是Al0.83In0.17N和Alx Ga1−xN,并随着Al成分的减少而逐渐下降。Lg = 40 nm的AlN/GaN/β-Ga2O3/β-Ga2O3- hemt的最大gm为538.5 mS/mm, Id_peak为3.22 a /mm, fT为469.6 GHz, Ids_sat为3.49 a /mm。值得注意的是,这种结构消除了额外的BB层和AlN成核的需要,提供了性能和制造优势。AlN/GaN/β-Ga2O3/SiC-HEMT也具有竞争力的性能,提供了令人信服的导热性,材料稳定性和集成可行性的组合,同时保持了成本效益。这些结果为AlN/GaN-HEMT的开发提供了有价值的设计见解,并有助于通过集成超宽带隙(UWBG) β-Ga2O3缓冲器来提高GaN-HEMT的性能,使其非常适合下一代5G/6G无线基础设施、亚太赫兹高速通信系统和先进雷达应用。
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引用次数: 0
Optical and Structural Characterization of MAPbBr3 Thin Films Synthesized via Emulsion–Demulsion for PeLED Applications 乳剂乳化法制备的MAPbBr3薄膜的光学和结构表征
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-20 DOI: 10.1007/s11664-025-12659-z
R. Adithya Nath, Aruna Raj, Jishad A. Salam, Akhil M. Anand, R. Jayakrishnan

Methylammonium lead bromide (MAPbBr3) nano-suspensions were synthesized through a simple, low-temperature emulsion–demulsion route, offering a scalable alternative to conventional hot-injection or ligand-assisted methods. These nano-suspensions enabled the deposition of uniform MAPbBr3 thin films on rigid substrates via spin coating. Structural analysis confirmed the formation of a cubic perovskite phase, supported by XRD, Raman spectroscopy, and TEM. The films exhibited a direct bandgap of ~ 2.23 eV and intense, color-stable green photoluminescence centered at 536 nm. AFM revealed a relatively high surface roughness (RMS ~ 111.6 nm), while XPS verified the expected elemental composition and valence states. When integrated onto 380 nm UV chips, the MAPbBr3 films functioned as efficient down-conversion layers, producing a bright green emission with a high color purity of 94.5% and CIE coordinates of (0.3064, 0.6663). This study demonstrates a facile, solution-processed pathway for perovskite-based green emitters, highlighting their potential as low-cost alternatives to rare-earth phosphors in solid-state lighting applications.

甲基溴化铅(MAPbBr3)纳米悬浮液是通过一种简单的低温乳化-乳化方法合成的,为传统的热注射或配体辅助方法提供了一种可扩展的替代方法。这些纳米悬浮液可以通过自旋涂层在刚性衬底上沉积均匀的MAPbBr3薄膜。结构分析证实了立方钙钛矿相的形成,并得到了XRD、拉曼光谱和TEM的支持。薄膜的直接带隙约为2.23 eV,并在536 nm处发出强烈的绿色光致发光。原子力显微镜(AFM)显示了较高的表面粗糙度(RMS ~ 111.6 nm), XPS验证了预期的元素组成和价态。当集成到380 nm紫外芯片上时,MAPbBr3薄膜作为高效的下转换层,产生明亮的绿色发射,其色纯度高达94.5%,CIE坐标为(0.3064,0.6663)。这项研究展示了钙钛矿基绿色发射器的一种简单的、溶液处理的途径,突出了它们在固态照明应用中作为稀土荧光粉的低成本替代品的潜力。
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引用次数: 0
NiFe(PBA) Nanocube-Decorated Mo3C2Tx Nanosheets as a Highly Selective and Sensitive Non-Enzymatic Electrochemical Sensor for Glucose Detection in Human Sweat NiFe(PBA)修饰Mo3C2Tx纳米片作为一种高选择性、高灵敏度的非酶电化学传感器用于人体汗液中葡萄糖的检测
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-20 DOI: 10.1007/s11664-025-12656-2
Arrthi Ravitchandiran, Senthilkumar Ramasamy, Saradh Prasad Rajendra, Seung Jun Lee, Subramania Angaiah

Continuous, painless glucose monitoring is a critical need for over 422 million people living with diabetes worldwide. As a result, non-invasive and conventional approaches to glucose monitoring are increasingly sought after compared to other microanalytical diagnostic tools. Additionally, blood glucose detection can be replaced by continuous glucose monitoring of other human biological fluids (sweat) collected by non-invasive means. In particular, the detection of blood glucose can be replaced by continuous monitoring through alternative, non-invasive methods that collect human biological fluids, such as sweat. This study developed an electrochemical non-enzymatic sensor using a composite of NiFe Prussian blue analogue [NiFe(PBA)] and a novel class of two-dimensional materials, transition metal carbides known as MXenes. Specifically, Mo3C2Tx MXene nanoflakes were employed to tailor the electroanalytical behaviour of the sensor for continuous glucose detection in sweat. Electrochemical studies, including cyclic voltammetry and chronoamperometry, were conducted to evaluate the sensor’s performance. The large specific surface area of the NiFe(PBA) nanocubes, combined with the superior electrical conductivity of Mo3C2Tx MXene, enabled the development of a high-performance non-enzymatic glucose biosensor. The sensor exhibited enhanced sensitivity of 993.28 μA mM−1 cm−2 and a low limit of detection (LOD ≈ 1.2 μM), meeting the requirements for effective glucose monitoring in human sweat.

持续、无痛的血糖监测是全球4.22亿糖尿病患者的关键需求。因此,与其他微量分析诊断工具相比,非侵入性和传统的血糖监测方法越来越受到追捧。此外,血糖检测可以被通过非侵入性手段收集的其他人体生物液体(汗液)的连续血糖监测所取代。特别是,血糖的检测可以通过收集人体生物体液(如汗液)的替代非侵入性方法来代替连续监测。本研究利用NiFe普鲁士蓝类似物[NiFe(PBA)]和一类新型二维材料过渡金属碳化物(MXenes)的复合材料开发了一种电化学非酶传感器。具体来说,采用Mo3C2Tx MXene纳米片来调整传感器的电分析行为,以连续检测汗液中的葡萄糖。电化学研究,包括循环伏安法和计时安培法,进行了评估传感器的性能。NiFe(PBA)纳米立方体的大比表面积,结合Mo3C2Tx MXene优越的导电性,使高性能非酶葡萄糖生物传感器的开发成为可能。该传感器灵敏度为993.28 μA mM−1 cm−2,检测限低(LOD≈1.2 μM),满足人体汗液中葡萄糖的有效监测要求。
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引用次数: 0
Design and Performance Evaluation of a Ge₁₋ₓSnₓ/Ge Multiple Quantum Well Heterojunction Phototransistor for Long-Haul DWDM Optical Communication Systems 用于长距离DWDM光通信系统的Ge₁瞪ₓSnₓ/Ge多量子阱异质结光电晶体管的设计与性能评价
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-17 DOI: 10.1007/s11664-025-12653-5
Anuj Kumar, Ghanendra Kumar, Chakresh Kumar

The increasing demand for photodetection with high capacity and low noise for long-haul optical networks has prompted researchers to develop even better heterojunction-based photodetectors. Traditional phototransistors can not meet the strict performance criteria that modern dense wavelength division multiplexing (DWDM) systems impose. This paper presents the design and full performance analysis of a Ge₁₋ₓSnₓ/Ge multiple quantum well (MQW) heterojunction phototransistor for high-speed optical communication, integrating three periods of Ge₀.₈₃Sn₀.₁₇ quantum wells surrounded by Ge₀.₈₇Sn₀.₁₃ barriers, all designed with doping profiles that enhance carrier confinement, responsivity, and gain, while maintaining low dark current. The phototransistor was modeled and simulated using COMSOL Multiphysics TCAD tools to analyze electric field distribution, carrier transport, and doping effects in the Ge₁₋ₓSnₓ/Ge multiple quantum well heterojunction. For the purpose of evaluating the applicability at the system level, the phototransistor was implemented in a 16 × 100 Gbps DWDM system using dual-polarization quadrature phase-shift keying (DP-QPSK) modulation at an aggregate data rate of 1.6 Tbps over a 2000 km fiber link with 50-GHz channel spacing. System performance was evaluated using optical simulations to quantify system performance metrics, including bit error rate (BER), signal-to-noise ratio (SNR), and quality of eye diagrams. Systems using the proposed MQW device showed significant advantages compared to those employing either Ge-on-Si or InGaAs/InP phototransistors, achieving responsivity greater than 6 A/W, bandwidth > 35 GHz, and SNR > 77 dB at 10 GHz. The results demonstrate the great potential of GeSn/Ge MQW heterostructures that extends beyond high-performance photodetector platforms, to include complementary metal–oxide semiconductor (CMOS)-compatible devices that can be used for next-generation long-reach DWDM receiver and integrated photonic circuits.

对远距离光网络中高容量、低噪声光探测的需求日益增长,促使研究人员开发出更好的基于异质结的光探测器。传统的光电晶体管已不能满足现代密集波分复用(DWDM)系统所要求的严格性能标准。本文介绍了一种用于高速光通信的Ge₁₈ₓSnₓ/Ge多量子阱(MQW)异质结光电晶体管的设计和全面性能分析,该晶体管集成了Ge₀.₈₃Sn₀的三个周期。₁₇量子井环绕Ge₀₈₇Sn₀。₁₃屏障,所有设计都采用掺杂配置文件,增强载流子限制,响应性和增益,同时保持低暗电流。利用COMSOL Multiphysics TCAD工具对光电晶体管进行了建模和仿真,分析了Ge₁ₓSnₓ/Ge多量子阱异质结中的电场分布、载流子输运和掺杂效应。为了评估光电晶体管在系统级的适用性,在一个16 × 100 Gbps的DWDM系统中实现了光电晶体管,该系统采用双极化正交相移键控(DP-QPSK)调制,在2000公里的光纤链路上以50 ghz信道间隔以1.6 Tbps的总数据速率实现。使用光学模拟来评估系统性能,量化系统性能指标,包括误码率(BER)、信噪比(SNR)和眼图质量。与采用Ge-on-Si或InGaAs/InP光电晶体管的系统相比,使用MQW器件的系统显示出显着的优势,其响应率大于6 A/W,带宽为35ghz,信噪比为77db。结果表明,GeSn/Ge MQW异质结构的巨大潜力不仅可以扩展到高性能光电探测器平台,还可以包括互补金属氧化物半导体(CMOS)兼容器件,可用于下一代远程DWDM接收器和集成光子电路。
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引用次数: 0
Multifunctional Imidazole-Based Copper(II) Single Crystal for Sustainable Health and Energy Applications 多功能咪唑基铜(II)单晶可持续健康和能源应用
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-17 DOI: 10.1007/s11664-025-12665-1
P. Vivek

A multifunctional copper(II) complex, (1H-imidazole-κN3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoato-κ3O,N,O′]copper(II) (IPMPC), was successfully grown as single crystals using the slow evaporation method in methanol. Its monoclinic structure (space group P21) was confirmed by single-crystal x-ray diffraction with excellent crystalline perfection (HRXRD; FWHM: 13.5 arcsec). Stable polarization switching was observed in the ferroelectric P–E loop (Pr = 0.95 μC/cm2, Ec = 0.9 kV/cm), and magnetic tests showed that the weak antiferromagnetic coupling between Cu(II) centers was predominant. The efficiency of SHG was 1.36× higher than that of KDP. Lattice stability was demonstrated by mechanical testing. IPMPC’s multifunctional optoelectronic and biological potential was highlighted by its powerful antibacterial and anticancer activities, which included suppressing EGFR/PI3K/AKT signaling and exhibiting an IC50 of 37.68 ± 2.17 μg/mL against MCF-7 cells.

采用缓慢蒸发法制备了多功能铜(II)配合物(1h -咪唑-κ n3)[4-甲基-2-({2-氧化-5-(2-苯基二氮基-1-基)苯基]亚甲基}氨基)-κ 30,N,O ']铜(II) (IPMPC)单晶。单晶x射线衍射证实了其单斜晶结构(空间群P21),结晶度极佳(HRXRD; FWHM: 13.5 arcsec)。在铁电P-E环(Pr = 0.95 μC/cm2, Ec = 0.9 kV/cm)中观察到稳定的极化开关,磁性测试表明Cu(II)中心之间的弱反铁磁耦合是主要的。SHG的效率比KDP高1.36倍。通过力学试验证明了晶格的稳定性。IPMPC对MCF-7细胞具有抑制EGFR/PI3K/AKT信号的抑菌和抗癌活性,IC50为37.68±2.17 μg/mL。
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引用次数: 0
From Sunlight to Fuels: Rb2OsX6 (X = Cl, Br, I) Perovskites Revolutionize Photocatalytic Hydrogen Generation 从阳光到燃料:Rb2OsX6 (X = Cl, Br, I)钙钛矿彻底改变光催化制氢
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-16 DOI: 10.1007/s11664-025-12666-0
Mohamed El Amine El Goutni, Mohammed Batouche, Hela Ferjani, Taieb Seddik

We report the first investigation of vacancy-ordered double perovskites Rb2OsX6 (X = Cl, Br, I) as lead-free, aqueous-stable photocatalysts. Using accurate TB-mBJ + SOC DFT calculations, we predict direct band gaps tunable from 2.98 eV (Cl) to 1.81 eV (I), enabling the Br and I compounds to absorb ~ 43% of the solar spectrum with coefficients exceeding 105 cm⁻1. Band-edge positions straddle the water redox potentials in all three materials (CBM: − 0.05 to − 0.21 V, VBM: + 1.63 to + 2.95 V vs,. NHE at pH 0), satisfying the thermodynamic requirement for overall water splitting without external bias—the first achievement among lead-free A2BX6 halide perovskites. Rb2OSI6 further meets the thermodynamic threshold for CO2 → CH4 reduction. Ultra-low exciton binding energies, light effective masses (0.61–2.25 m₀), and intrinsic aqueous stability conferred by the vacancy-ordered structure ensure efficient charge dynamics and durability, positioning Rb2OsX6 as a breakthrough visible-light photocatalyst family.

我们报道了空位有序双钙钛矿Rb2OsX6 (X = Cl, Br, I)作为无铅、水稳定光催化剂的首次研究。通过精确的TB-mBJ + SOC DFT计算,我们预测直接带隙可在2.98 eV (Cl)到1.81 eV (I)之间调节,使Br和I化合物能够吸收~ 43%的太阳光谱,其系数超过105 cm⁻1。在所有三种材料中,带边位置横跨水氧化还原电位(CBM:−0.05至−0.21 V, VBM: + 1.63至+ 2.95 V vs)。pH = 0时的NHE),满足了整体水分解无外部偏置的热力学要求,这是无铅A2BX6卤化物钙钛矿中首次实现。Rb2OSI6进一步满足CO2→CH4还原的热力学阈值。Rb2OsX6具有超低的激子结合能、光效质量(0.61-2.25 m 0)以及由空位有序结构所赋予的固有的水稳定性,确保了高效的电荷动力学和耐用性,使其成为一种突破性的可见光光催化剂家族。
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引用次数: 0
Atomistic Insights into the Laser–Material Interaction in Gold-Coated Silicon: A TTM-MD Approach 金涂层硅中激光与材料相互作用的原子性见解:TTM-MD方法
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-16 DOI: 10.1007/s11664-025-12667-z
Dongwei Li, Ziyang Xie, Haoyu Shi, Jinrui Xiao

Gold-coated silicon substrates have become crucial for advancing optoelectronic devices and nanostructures due to their enhanced properties. This study employs an integrated approach combining the finite-difference time-domain (FDTD) method with the two-temperature model-molecular dynamics (TTM-MD) simulation to investigate ultrafast laser ablation. Simulations were performed on Si substrates coated with varying Au coating thicknesses (0, 20, 35 nm) using a 100-fs, 1030 nm-laser at fluences of 50 and 100 mJ/cm2 over a 100-ps duration. We analyzed the temporal evolution of density, potential energy, and pressure distribution to reveal the effects of both coating thickness and laser fluence on the ablation mechanism. The results show that the 20-nm and 35-nm Au coatings reduce energy absorption in the Si substrate by 35% and 66%, respectively, compared to bare Si. The Au layer acts as a protective barrier by partially absorbing and reflecting laser energy, which induces localized heating and reduces atomic displacement and potential energy in the underlying Si. The absorbed energy generates mechanical stress within the Au layer, which confines tensile stress transfer to the Si and suppresses microfracturing. Although higher fluence enhances ablation efficiency, it concurrently increases the risk of Si substrate subsurface cracking. This work provides quantitative insights for optimizing laser processing parameters, including laser fluence and coating thickness, for precise nanostructure fabrication.

Graphical Abstract

金包覆硅衬底由于其增强的性能而成为推进光电器件和纳米结构的关键。本研究采用时域有限差分(FDTD)方法与双温模型-分子动力学(TTM-MD)模拟相结合的方法研究超快激光烧蚀。在不同金涂层厚度(0、20、35 nm)的Si衬底上进行了模拟,使用100-fs、1030 nm激光器,影响为50和100 mJ/cm2,持续时间为100 ps。我们分析了密度、势能和压力分布的时间演变,揭示了涂层厚度和激光辐照度对烧蚀机理的影响。结果表明,与裸Si相比,20 nm和35 nm的Au涂层分别使Si衬底的能量吸收降低了35%和66%。Au层通过部分吸收和反射激光能量起到保护屏障的作用,从而引起局部加热,减少了Si中的原子位移和势能。吸收的能量在Au层内产生机械应力,这限制了拉应力向Si的传递,抑制了微压裂。高通量虽然提高了烧蚀效率,但同时也增加了Si衬底次表面开裂的风险。这项工作为优化激光加工参数提供了定量的见解,包括激光通量和涂层厚度,以实现精确的纳米结构制造。图形抽象
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引用次数: 0
Photoluminescence and Energy Transfer Analysis for Thermally Stable Dy3+/Tb3+-Doped Sr2ZnSi2O7 Phosphors 热稳定Dy3+/Tb3+掺杂Sr2ZnSi2O7荧光粉的光致发光和能量传递分析
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-15 DOI: 10.1007/s11664-025-12658-0
Seema, A. S. Rao, Sarita Baghel

The present research work investigates the synthesis of Dy3+-doped, Tb3+-doped, and Dy3+/Tb3+-co-doped Sr2ZnSi2O7 (SZSi) phosphors using a high-temperature solid-state technique. X-ray diffraction (XRD) analysis showed that the crystal structure of the synthesized SZSi samples matched the Joint Committee on Powder Diffraction Standards (JCPDS) card no. 00-039-0235. Using diffuse reflectance spectroscopy (DRS), the bandgap of co-doped SZSi:Dy3+/Tb3+ phosphor was determined to be 3.09 eV. Emission spectra from photoluminescence (PL) spectroscopy showed that SZSi:Dy3+, SZSi:Tb3+, and SZSi:Dy3+/Tb3+ phosphors were efficiently excited by near-ultraviolet light. As the concentration of Tb3+ ions increased, their PL intensity also increased, causing the PL emission intensity of Dy3+ ions to drop, representing the energy transfer from Dy3+ to Tb3+ ions in the host lattice. The correlated colour temperature (CCT) value for the SZSi:Dy3+/Tb3+ (x = 1.5, y = 2 mol.%) phosphor was 3091 K, whereas the CIE colour coordinates were (0.31793, 0.30735), representing warm white light luminescence. Additionally, with activation energy of 0.236 eV, the synthesized phosphor demonstrated outstanding thermal stability, maintaining 88% of its emission intensity at 150°C. These results demonstrate the potential of the synthesized phosphors as solid-state warm white-light-emitting diode (LED) lighting sources.

本研究采用高温固态技术合成了Dy3+掺杂、Tb3+掺杂和Dy3+/Tb3+共掺杂的Sr2ZnSi2O7 (SZSi)荧光粉。x射线衍射(XRD)分析表明,合成的SZSi样品的晶体结构符合粉末衍射标准联合委员会(JCPDS)证号。00-039-0235。利用漫反射光谱(DRS)测定了共掺杂SZSi:Dy3+/Tb3+荧光粉的带隙为3.09 eV。光致发光(PL)光谱显示,SZSi:Dy3+、SZSi:Tb3+和SZSi:Dy3+/Tb3+荧光粉在近紫外光下被有效激发。随着Tb3+离子浓度的增加,其PL强度也随之增加,导致Dy3+离子的PL发射强度下降,代表了主晶格中Dy3+离子向Tb3+离子的能量转移。SZSi:Dy3+/Tb3+ (x = 1.5, y = 2 mol.%)荧光粉的相关色温(CCT)值为3091 K,而CIE色坐标为(0.31793,0.30735),代表暖白光发光。此外,合成的荧光粉具有0.236 eV的活化能,表现出良好的热稳定性,在150°C时保持了88%的发射强度。这些结果证明了合成荧光粉作为固态暖白光发光二极管(LED)照明光源的潜力。
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引用次数: 0
Structural, Optical, Dielectric, and Third-Order Nonlinear Properties of a New Organic–Inorganic Hybrid: Bis(2-Carboxypyridin-1-Ium) Hexachlorostannate(IV) Dihydrate 新型有机-无机杂化物双(2-羧基吡啶-1- ium)六氯盐(IV)二水合物的结构、光学、介电和三阶非线性性质
IF 2.5 4区 工程技术 Q3 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-14 DOI: 10.1007/s11664-025-12654-4
Elyorbek Shonazar ugli Samandarov, Pirnazar Kodamboevich Kodamboev, Aziz Bakhtiyarovich Ibragimov, Rajamanickam Duraisamy, Guganathan Loganathan, Ikrom Iskandarovich Abdullaev, Bakhtiyar Tulaganovich Ibragimov, Sivaprakasam Anbazhagan, Yuldosh Yusupboevich Yakubov, Balakrishnan Chellakarungu

A new organic–inorganic hybrid salt, bis(2-carboxypyridin-1-ium) hexachlorostannate(IV) dihydrate ([2-CpyH]2[SnCl6]), was synthesized and structurally characterized through single-crystal x-ray diffraction, Hirshfeld surface analysis, and bond valence sum calculations. The compound exhibits a robust three-dimensional hydrogen-bonded framework and columnar packing of [SnCl6]2− octahedra, which collectively enhance structural stability and electronic polarization. Optical studies reveal a wide bandgap of 4.28 eV and strong blue-violet emission at 386 nm, indicating potential applicability in UV sensing and related photonic technologies. Z-scan measurements demonstrate a notable third-order nonlinear optical susceptibility, χ(3) = 1.75 x 10−11 esu, arising from combined reverse saturable absorption and self-defocusing behaviour, confirming the suitability of the material for optical limiting and photonic switching applications. Dielectric measurements show pronounced dispersion at low frequencies and stable, low-loss behaviour at high frequencies, supported by efficient dipolar orientation and interfacial polarization. AC conductivity analysis reveals a transition from defect-mediated conduction at low frequencies to hopping-dominated transport at higher frequencies. These combined structural, optical, and dielectric properties highlight [2-CpyH]2[SnCl6] as a promising multifunctional material for photonic, optoelectronic, and dielectric device applications.

合成了一种新型有机-无机杂化盐——双(2-羧基吡啶-1-ium)六氯酸(IV)二水合物([2- cpyh]2[SnCl6]),并通过单晶x射线衍射、Hirshfeld表面分析和键价和计算对其进行了结构表征。该化合物具有坚固的三维氢键框架和[SnCl6]2−八面体柱状填料,共同增强了结构稳定性和电子极化。光学研究表明,该材料具有4.28 eV的宽带隙和386 nm的强蓝紫色发射,表明其在紫外传感和相关光子技术中的潜在适用性。z -扫描测量显示出显著的三阶非线性光学磁化率,χ(3) = 1.75 x 10−11 esu,这是由反向饱和吸收和自散焦行为共同引起的,证实了该材料在光限制和光子开关应用中的适用性。在有效的偶极取向和界面极化的支持下,介电测量显示在低频时明显的色散和在高频时稳定的低损耗行为。交流电导率分析揭示了从低频缺陷介导的传导到高频跳跃主导的传输的转变。这些综合的结构、光学和介电性能突出了[2- cpyh]2[SnCl6]作为光子、光电和介电器件应用的有前途的多功能材料。
{"title":"Structural, Optical, Dielectric, and Third-Order Nonlinear Properties of a New Organic–Inorganic Hybrid: Bis(2-Carboxypyridin-1-Ium) Hexachlorostannate(IV) Dihydrate","authors":"Elyorbek Shonazar ugli Samandarov,&nbsp;Pirnazar Kodamboevich Kodamboev,&nbsp;Aziz Bakhtiyarovich Ibragimov,&nbsp;Rajamanickam Duraisamy,&nbsp;Guganathan Loganathan,&nbsp;Ikrom Iskandarovich Abdullaev,&nbsp;Bakhtiyar Tulaganovich Ibragimov,&nbsp;Sivaprakasam Anbazhagan,&nbsp;Yuldosh Yusupboevich Yakubov,&nbsp;Balakrishnan Chellakarungu","doi":"10.1007/s11664-025-12654-4","DOIUrl":"10.1007/s11664-025-12654-4","url":null,"abstract":"<div><p>A new organic–inorganic hybrid salt, bis(2-carboxypyridin-1-ium) hexachlorostannate(IV) dihydrate ([2-CpyH]<sub>2</sub>[SnCl<sub>6</sub>]), was synthesized and structurally characterized through single-crystal x-ray diffraction, Hirshfeld surface analysis, and bond valence sum calculations. The compound exhibits a robust three-dimensional hydrogen-bonded framework and columnar packing of [SnCl<sub>6</sub>]<sup>2−</sup> octahedra, which collectively enhance structural stability and electronic polarization. Optical studies reveal a wide bandgap of 4.28 eV and strong blue-violet emission at 386 nm, indicating potential applicability in UV sensing and related photonic technologies. Z-scan measurements demonstrate a notable third-order nonlinear optical susceptibility, χ<sup>(3)</sup> = 1.75 x 10<sup>−11</sup> esu, arising from combined reverse saturable absorption and self-defocusing behaviour, confirming the suitability of the material for optical limiting and photonic switching applications. Dielectric measurements show pronounced dispersion at low frequencies and stable, low-loss behaviour at high frequencies, supported by efficient dipolar orientation and interfacial polarization. AC conductivity analysis reveals a transition from defect-mediated conduction at low frequencies to hopping-dominated transport at higher frequencies. These combined structural, optical, and dielectric properties highlight [2-CpyH]<sub>2</sub>[SnCl<sub>6</sub>] as a promising multifunctional material for photonic, optoelectronic, and dielectric device applications.</p></div>","PeriodicalId":626,"journal":{"name":"Journal of Electronic Materials","volume":"55 3","pages":"3098 - 3114"},"PeriodicalIF":2.5,"publicationDate":"2026-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147339214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Journal of Electronic Materials
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