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Computational analysis of visible three-beam interference for enhanced nonlinear response and defect-sensitive photonic structuring 增强非线性响应和缺陷敏感光子结构的可见三束干涉计算分析
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-06 DOI: 10.1007/s11082-026-08707-5
Vikas Kumar, Ajay Kumar, Mohd Yasir Khan

We present a comprehensive computational analysis of visible light interference patterns from three input beams. High-contrast interference fields, like hexagonal intensity lobe lattices, are produced by carefully examining a variety of input beam characteristics, angular orientations, and polarization. The simulations are based on scalar wave theory under the paraxial approximation and are performed on a subwavelength-resolution spatial grid to resolve fine-scale intensity characteristics. Optimized patterns induce photorefractive effects in LiNbO3, permanently imprinting crystals via exposure. Defect sensitivity is evaluated in another investigation by introducing nanoscale anomalies (~ 10 nm), which result in observable disruptions in high-intensity regions of the interference pattern. Our approach makes it easier to design defect-sensitive photonic structures and offers a practical path to real-time monitoring and precise manufacturing of nonlinear optical devices. 

我们提出了一个全面的计算分析可见光干涉模式从三个输入光束。高对比度干涉场,像六边形强度瓣晶格,是通过仔细检查各种输入光束的特性,角取向,和偏振产生的。模拟基于近轴近似下的标量波理论,并在亚波长分辨率空间网格上进行,以求解精细尺度强度特性。优化的图案诱导LiNbO3的光折变效应,通过曝光永久印迹晶体。在另一项研究中,通过引入纳米级异常(~ 10 nm)来评估缺陷灵敏度,这导致在干涉图的高强度区域可观察到的破坏。我们的方法使缺陷敏感光子结构的设计更容易,并为非线性光学器件的实时监测和精确制造提供了一条实用的途径。
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引用次数: 0
Numerical investigation of adhesion-layer-induced optical losses in tapered plasmonic MIM waveguides 锥形等离子体MIM波导中粘附层光学损耗的数值研究
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-05 DOI: 10.1007/s11082-026-08702-w
Kruawan Wongpanya, Wanchai Pijitrojana

Adhesion layers play a crucial yet often overlooked role in determining the optical performance of plasmonic nanostructures. In this work, a three-dimensional finite-element modeling framework is employed to systematically quantify how adhesion-layer material and thickness influence nanofocusing efficiency in tapered metal–insulator–metal (MIM) waveguides. Titanium (Ti), chromium (Cr), germanium (Ge), and self-assembled monolayers (SAMs) are compared over a thickness range of 1–10 nm under identical geometrical and excitation conditions, enabling direct isolation of adhesion-layer-induced optical losses. The simulations show that even ultrathin metallic adhesion layers (1–3 nm) introduce severe absorption losses, reducing coupling efficiency by more than 50% and approaching 90% at 10 nm. In contrast, SAMs preserve high throughput and strong field confinement due to negligible absorption and improved impedance matching, while Ge exhibits intermediate behavior and serves as a comparative optical case. These results establish a predictive, fabrication-relevant framework for understanding interfacial optical losses in plasmonic MIM nanofocusing structures and provide quantitative design guidelines for selecting low-loss adhesion strategies in nanophotonic, sensing, and data-storage applications.

粘附层在决定等离子体纳米结构的光学性能方面起着至关重要的作用,但往往被忽视。在这项工作中,采用三维有限元建模框架来系统地量化粘接层材料和厚度如何影响锥形金属-绝缘体-金属(MIM)波导的纳米聚焦效率。在相同的几何和激发条件下,对钛(Ti)、铬(Cr)、锗(Ge)和自组装单层(sam)在1-10 nm的厚度范围内进行了比较,从而能够直接隔离粘附层引起的光学损耗。模拟结果表明,即使是超薄的金属粘附层(1-3 nm)也会导致严重的吸收损失,耦合效率降低50%以上,在10 nm处接近90%。相比之下,由于可以忽略吸收和改进的阻抗匹配,SAMs保持了高通量和强场约束,而Ge表现出中间行为并作为比较的光学案例。这些结果为理解等离子体MIM纳米聚焦结构中的界面光学损耗建立了一个预测性的、与制造相关的框架,并为在纳米光子、传感和数据存储应用中选择低损耗粘附策略提供了定量设计指导。
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引用次数: 0
Investigation of the potential of standalone and straddling-type sandwiched absorber solar cells with Sb2S3 and Sb2Se3 via DFT and SCAPS-1D simulation 利用DFT和SCAPS-1D模拟研究Sb2S3和Sb2Se3的独立式和跨式夹层吸收太阳能电池的潜力
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-04 DOI: 10.1007/s11082-025-08638-7
M. T. Islam, Mukaddar Sk

Antimony chalcogenides (Sb2Se3 and Sb2S3) are increasingly recognized as promising absorber materials for thin-film solar cells owing to their strong optical response, natural abundance, and environmental compatibility. However, the device performance is still limited by an insufficient rear contact barrier, a high density of point defects in the bulk, a reduced carrier lifetime, and defect states at the interfaces. In this work, the Vienna Ab initio Simulation Package (VASP) is employed to investigate their structural and optoelectronic properties. Sb2Se3 and Sb2S3 exhibit direct band gaps of 1.17 eV and 1.62 eV, respectively, along with strong UV–visible absorption (~ 105 cm−1), confirming their suitability for efficient solar energy conversion. To leverage these properties, an optimized device architecture is proposed using SCAPS-1D, enabling simultaneous utilization of above- and sub-bandgap photons. The structure embeds a low-bandgap absorber within a high-bandgap matrix, forming a straddling-type heterostructure with favourable band alignment. This configuration is integrated with p+ and n+ layers to establish a strong internal electric field, which enhances carrier transport and suppresses recombination. Furthermore, different aspects of carrier transport within the confinement region are examined, along with key physical parameters—such as thickness, position, and barrier height—that govern overall device performance. The optimized configuration yields a theoretical power-conversion efficiency of ~ 35% under ideal conditions, exceeding conventional single-junction limits but serving as a simulation-based upper-bound prediction rather than an experimentally achieved value. The results provide a predictive roadmap for guiding future experimental optimization of stable, high-efficiency Sb-chalcogenide solar cells.

硫系锑(Sb2Se3和Sb2S3)由于其强的光响应、天然丰度和环境相容性,越来越被认为是有前途的薄膜太阳能电池吸收材料。然而,该器件的性能仍然受到后方接触屏障不足、体中点缺陷密度高、载流子寿命缩短以及界面缺陷状态的限制。在这项工作中,采用维也纳从头算模拟包(VASP)来研究它们的结构和光电子性质。Sb2Se3和Sb2S3的直接带隙分别为1.17 eV和1.62 eV,并且具有强紫外可见吸收(~ 105 cm−1),证实了它们适合高效太阳能转换。为了利用这些特性,提出了一种使用SCAPS-1D的优化器件架构,使其能够同时利用上带隙和亚带隙光子。该结构将低带隙吸收器嵌入高带隙矩阵中,形成具有良好带对准的跨置型异质结构。该构型与p+和n+层集成,形成强大的内部电场,增强载流子输运,抑制复合。此外,还研究了约束区内载流子输运的不同方面,以及控制器件整体性能的关键物理参数(如厚度、位置和势垒高度)。优化后的结构在理想条件下产生了~ 35%的理论功率转换效率,超过了传统的单结限制,但作为基于模拟的上限预测,而不是实验实现的值。研究结果为指导未来稳定、高效的硫系锑太阳能电池的实验优化提供了预测路线图。
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引用次数: 0
Performance evaluation of a 640 Gbps integrated polarization division multiplexing-orbital angular momentum multiplexing-orthogonal frequency division multiplexing based free space optics transmission 基于640gbps极化分复用-轨道角动量复用-正交频分复用的自由空间光传输性能评价
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-02 DOI: 10.1007/s11082-025-08662-7
Amit Grover, Vivek Soi, Tanvir Kaur, Vinay Kumar Singh, Mehtab Singh, Somia A. Abd El-Mottaleb, Moustafa H. Aly

The ever-growing demand for high-speed data has challenged the conventional wireless transmission systems. In this paper, we propose a single-channel high-speed bandwidth-efficient free space optics (FSO) transmission by incorporating hybrid Polarization Division Multiplexing (PDM)-Orbital Angular Momentum (OAM) Multiplexing-Orthogonal Frequency Division Multiplexing (OFDM) using 16-level Quadrature Amplitude Modulation (QAM) signals. 2-OAM beams ((:{LG}_{text{0,0}}) and (:{LG}_{text{0,15}}):)of 2-orthogonal polarized beams are used to carry 640 Gbps of data over a free space channel by incorporating in-phase-quadrature modulation. At the receiver terminal, signal processing is implemented to rectify the signal distortion due to the free space channel losses. We analyzed the proposed system performance for varying weather conditions using standard performance metrics including constellation, Error Vector Magnitude (EVM), and Bit Error Rate (BER) over an increasing transmission range. The obtained results demonstrate reliable 640 Gbps transmission using the proposed system with a range varying from 703 m to 7 km within forward error correction (FEC) limits of BER ≤ 3.8(:times:{10}^{-3}), EVM ≤ 17.5%, and clear constellation.

高速数据需求的不断增长对传统的无线传输系统提出了挑战。在本文中,我们提出了一种单通道高速带宽高效的自由空间光学(FSO)传输,该传输结合了混合偏振分复用(PDM)-轨道角动量复用(OAM) -正交频分复用(OFDM),采用16级正交调幅(QAM)信号。利用2正交极化波束的2-OAM波束((:{LG}_{text{0,0}})和(:{LG}_{text{0,15}}):))结合相交调制,在自由空间信道上传输640 Gbps的数据。在接收端,进行信号处理以纠正由于自由空间信道损耗而造成的信号失真。我们使用标准性能指标(包括星座、误差矢量大小(EVM)和误码率(BER))在不断增加的传输范围内分析了不同天气条件下提出的系统性能。结果表明,在前向纠错(FEC) BER≤3.8 (:times:{10}^{-3}), EVM≤17.5的范围内,采用该系统可实现640 Gbps的可靠传输,传输距离从703 m到7 km不等%, and clear constellation.
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引用次数: 0
Construction of S-type heterostructure Er2O3/g-C3N4 for enhanced photocatalytic CO2 reduction performance s型异质结构Er2O3/g-C3N4增强光催化CO2还原性能的构建
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-02 DOI: 10.1007/s11082-026-08703-9
Qingsong Chen, Daolei Wang, Cheng Peng, Jiang Wu, Yuxi Liu, Guochuan Pan, Le Chen, Huanan Wang, Jili Wen, Ahmad Hosseini-Bandegharaei

Since its artificial synthesis, the adaptability of graphitic carbon nitride (g-C3N4) in solar energy conversion and environmental remediation has made it a promising photocatalyst. However, its practical applications are hindered by intrinsic limitations such as low surface area, rapid electron-hole recombination, and limited quantum efficiency. Rare-earth elements provide a useful technique to improve light harvesting and charge transfer under low-energy stimulation because of their distinct 4f electronic structure and upconversion luminescence. In this work, we successfully synthesize Er2O3/g-C3N4 heterojunctions rich in oxygen vacancies using a simple hydrothermal process. The introduction of oxygen vacancies modulates the charge-transfer pathway, accelerates carrier mobility, and improves electron–hole separation, thereby boosting CH4 generation rates by 50.21-fold and 74.89-fold compared to pristine Er2O3 and g-C3N4, respectively. The exceptional photocatalytic performance originates from three synergistic effects: Er³⁺induced upconversion luminescence converts low-energy near-infrared photons into visible emissions, enhancing solar light utilization; oxygen vacancies broaden light absorption and expedite carrier migration; and these vacancies act as active sites that facilitate CO2 adsorption and activation. This study not only demonstrates a high-efficiency photocatalyst for solar-driven CO2 reduction but also provides an innovative design paradigm for engineering g-C3N4-based heterostructures with optimized charge dynamics and light management.

自人工合成以来,石墨氮化碳(g-C3N4)在太阳能转化和环境修复方面的适应性使其成为一种很有前途的光催化剂。然而,它的实际应用受到诸如低表面积、快速电子-空穴复合和有限量子效率等固有限制的阻碍。稀土元素由于其独特的4f电子结构和上转换发光特性,为改善低能量刺激下的光收集和电荷转移提供了有用的技术。在这项工作中,我们成功地用简单的水热法合成了富含氧空位的Er2O3/g-C3N4异质结。氧空位的引入调节了电荷转移途径,加速了载流子迁移率,改善了电子-空穴分离,从而使CH4的生成速率比原始Er2O3和g-C3N4分别提高了50.21倍和74.89倍。优异的光催化性能源于三个协同效应:Er³+诱导的上转换发光将低能量的近红外光子转化为可见光,提高了太阳能光的利用率;氧空位扩大光吸收,加速载流子迁移;这些空位作为促进二氧化碳吸附和活化的活性位点。该研究不仅展示了一种用于太阳能驱动的二氧化碳减排的高效光催化剂,而且为优化电荷动力学和光管理的g- c3n4异质结构的工程设计提供了一种创新的设计范式。
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引用次数: 0
Geometry-induced chiral currents in a mesoscopic helicoidal quantum well 介观螺旋量子阱中几何诱导的手性电流
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-02 DOI: 10.1007/s11082-026-08693-8
Edilberto O. Silva

We introduce a mesoscopic quantum well whose confinement and chirality emerge solely from the intrinsic twist of a finite helicoidal metric. This purely geometric construction requires no external gates or fields: the metric itself induces both a harmonic radial potential and a twist-driven Zeeman-like term that breaks the (m leftrightarrow -m) degeneracy. By imposing hard-wall boundary conditions at (z = pm L/2), we quantize the axial motion and obtain a genuinely zero-dimensional helicoidal quantum dot. An exact analytic solution reveals an energy spectrum with chiral splitting linear in both the twist rate (Omega ) and the axial quantum number (n_z). For realistic InAs nanoroll parameters ((L = 100) nm, (Omega = 5times 10^{6},mathrm {m^{-1}})), this geometric effect results in a measurable splitting of (2hbar omega simeq 1.040) meV. We propose three viable experimental platforms, ultracold atoms in optical traps, femtosecond-written photonic waveguides, and strain-engineered semiconductor nanorolls, where this twist-induced phenomenon should be accessible with current technology.

我们引入了一个介观量子阱,它的约束和手性仅由有限螺旋度规的本征扭转产生。这种纯粹的几何结构不需要外部门或场:度规本身既会产生谐波径向势,也会产生扭曲驱动的泽曼类项,从而打破(m leftrightarrow -m)简并。通过施加硬壁边界条件在(z = pm L/2),我们量化轴向运动,并获得一个真正的零维螺旋量子点。精确解析解揭示了扭率(Omega )和轴向量子数(n_z)均为线性的手性分裂能谱。对于实际的InAs纳米滚参数((L = 100) nm, (Omega = 5times 10^{6},mathrm {m^{-1}})),这种几何效应导致(2hbar omega simeq 1.040) meV的可测量分裂。我们提出了三个可行的实验平台:光阱中的超冷原子、飞秒写入光子波导和应变工程半导体纳米卷,在这些实验平台上,这种扭曲诱导的现象应该可以用当前的技术实现。
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引用次数: 0
Enhanced mid-infrared light trapping in vanadium dioxide-loaded one-dimensional zero-contrast gratings on metal substrate 金属基板上负载二氧化钒的一维零对比度光栅增强中红外光捕获
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-02-02 DOI: 10.1007/s11082-025-08542-0
Hongjing Li, Yingying Zhang, Gaige Zheng

We theoretically investigate enhanced mid-infrared absorption in a one-dimensional zero-contrast grating structure incorporating a thermally tunable vanadium dioxide ((hbox {VO}_{2})) layer atop a metallic substrate. At lower temperatures, (hbox {VO}_{2}) remains in its insulating phase with low optical loss, enabling it to function as a low-loss cavity spacer that supports Fabry-Pérot resonances under transverse magnetic polarization. When combined with the guided mode resonance effects induced by the zero-contrast grating, strong optical field confinement occurs within the (hbox {VO}_{2}) layer, leading to pronounced absorption peaks at mid-infrared wavelengths (16–19 (mu )m). We employ rigorous coupled-wave analysis to systematically analyze the optical responses, revealing that proper tuning of the grating period (9–12 (mu )m), fill factor (0.2(-)0.8), and (hbox {VO}_{2}) thickness (3(-)3.5 (mu )m) results in narrowband absorptance exceeding 90% at resonance. The underlying molybdenum layer acts as a back reflector to suppress transmission, further enhancing light trapping. The absorption characteristics can be significantly modulated by the thermally induced phase transition of (hbox {VO}_{2}), offering dynamic control over resonant absorption. Additionally, the structure exhibits azimuthal angle-dependent behavior and supports enhanced absorption even under transverse electric polarization. The interplay between guided mode resonance and Fabry-Pérot cavity effects in the low-loss (hbox {VO}_{2}) phase offers a passive route to achieve spectrally selective and thermally switchable absorption. These findings have potential applications in tunable infrared sensors, thermal emitters, and actively controllable photonic devices.

我们从理论上研究了在金属衬底上加入热可调二氧化钒((hbox {VO}_{2}))层的一维零对比度光栅结构中增强的中红外吸收。在较低的温度下,(hbox {VO}_{2})保持在其绝缘阶段,具有低光学损耗,使其能够作为低损耗的腔间隔器,支持横向磁极化下的法布里-帕姆罗特共振。结合零对比光栅诱导的导模共振效应,在(hbox {VO}_{2})层内产生强光场约束,导致在中红外波长(16-19 (mu ) m)处出现明显的吸收峰。我们采用严格的耦合波分析系统地分析了光学响应,发现适当调整光栅周期(9-12 (mu ) m),填充因子(0.2 (-) 0.8)和(hbox {VO}_{2})厚度(3 (-) 3.5 (mu ) m)可以使窄带吸光度超过90% at resonance. The underlying molybdenum layer acts as a back reflector to suppress transmission, further enhancing light trapping. The absorption characteristics can be significantly modulated by the thermally induced phase transition of (hbox {VO}_{2}), offering dynamic control over resonant absorption. Additionally, the structure exhibits azimuthal angle-dependent behavior and supports enhanced absorption even under transverse electric polarization. The interplay between guided mode resonance and Fabry-Pérot cavity effects in the low-loss (hbox {VO}_{2}) phase offers a passive route to achieve spectrally selective and thermally switchable absorption. These findings have potential applications in tunable infrared sensors, thermal emitters, and actively controllable photonic devices.
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引用次数: 0
Refining dye-sensitized solar cells: molecular insights into organic dye adsorption and band gap engineering on TiO₂ substrates 精制染料敏化太阳能电池:分子洞察有机染料吸附和带隙工程在二氧化钛底物
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-30 DOI: 10.1007/s11082-026-08674-x
Vahdat Rafee, Alireza Razeghizadeh, Nahid Rashidi, Saeedeh Kamalinahad

The present study investigates how organic pigments adhere to the TiO₂ surface, which acts as a mesoporous film in dye-sensitized solar cells (DSSCs). The effect of this adhesion on the electronic band gap is of interest. In this regard, eight different density functionals were evaluated to identify the most appropriate computational method to accurately describe the electronic and optical properties of TiO₂ nanoparticles. The results obtained for the absorption maximum (λmax) and band gap energy (Eg) were compared with valid experimental data and it was found that the LSDA functional provides results closely matching benchmark values. Then, geometric optimization and time-dependent density functional theory (TD-DFT) calculations were performed on the adsorption of Naphthoquinone on TiO₂. These calculations identified two stable structures with interaction energies of − 0.49 and − 0.21 eV (TN1 and TN2, respectively), in the gas phase. The study of the absorption of natural dyes Acacetin and Juglone on these surfaces also showed that Juglone acted as a stronger chemisorption agent, with its interaction energy (Eint) being as low as − 0.27 eV and − 0.19 eV a significant charge transfer (~ 291, and 267 |me|) occurred, resulting in a significant reduction of the band gap by 23.29% and 44.57% in the TN1J1 and TN2J1 complexes, respectively. Density of states analysis confirmed the presence of new frontier orbitals, contributing to the improved of electronic conductivity. The optical absorption spectra also showed a shift towards longer wavelengths and an increase in absorption intensity for the dye-TiO₂ complexes, especially the Juglone-containing structures (TN2J1) with an absorption intensity of 0.1023, which improved the visible light harvesting ability. Overall, the results demonstrate the remarkable effect of functionalizing TiO₂ with Naphthoquinone-based natural dyes and introduce Juglone as a promising sensitizer. It improves efficiency and stability of dye-sensitized solar cells by enhancing the photophysical and electronic mechanisms.

在染料敏化太阳能电池(DSSCs)中,有机颜料是如何附着在tio2表面的。这种粘附对电子带隙的影响是令人感兴趣的。在这方面,我们评估了8种不同的密度泛函,以确定最合适的计算方法来准确描述TiO₂纳米颗粒的电子和光学性质。将所得的吸收最大值(λmax)和带隙能(Eg)与有效实验数据进行了比较,发现LSDA泛函提供的结果与基准值非常接近。然后,对萘醌在tio2上的吸附进行几何优化和时间依赖密度泛函理论(TD-DFT)计算。这些计算确定了两种稳定的气相结构,相互作用能分别为- 0.49和- 0.21 eV (TN1和TN2)。对天然染料刺槐素和核桃胶酮在这些表面的吸附研究也表明,核桃胶酮具有较强的化学吸附作用,其相互作用能(Eint)低至- 0.27 eV和- 0.19 eV,发生了显著的电荷转移(~ 291和267 |me|),使TN1J1和TN2J1配合物的带隙分别减少了23.29%和44.57%。态密度分析证实了新前沿轨道的存在,有助于提高电子导电性。染料- tio2配合物的光吸收光谱也呈现出向更长波方向移动和吸收强度增加的趋势,特别是含juglin结构(TN2J1)的吸收强度为0.1023,提高了可见光捕获能力。综上所述,研究结果证明了萘醌类天然染料对TiO 2的功能化效果显著,并介绍了核桃胶酮作为一种很有前景的增敏剂。它通过增强光物理和电子机制来提高染料敏化太阳能电池的效率和稳定性。
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引用次数: 0
Analytical modeling and optimization of light trapping in textured four-terminal (FAPbI3)1−x(MAPbBr3)x/graphene/GaAs tandem solar cells 纹理四端(FAPbI3)1−x(MAPbBr3)x/石墨烯/砷化镓串联太阳能电池的光捕获分析建模和优化
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-29 DOI: 10.1007/s11082-026-08677-8
Farzaneh Shahnooshi, Ali A. Orouji

This work presents an analytical model to optimize the efficiency of a mechanically stacked four-terminal (4-T) tandem solar cell composed of a (FAPbI3)1−x(MAPbBr3)x perovskite top cell and a Graphene/GaAs bottom cell. The perovskite absorber’s tunable bandgap, ranging from 1.52 to 2.31 eV, enables effective spectral matching with the fixed 1.42 eV bandgap of the GaAs subcell. The model incorporates experimentally validated optical and electrical parameters for subcells under AM1.5G illumination, allowing accurate modeling of the tandem device’s J–V characteristics. By systematically optimizing the absorber thickness and bandgap composition, the study demonstrates that a planar tandem configuration with top and bottom absorber thicknesses of 1 μm and 2 μm respectively can achieve a power conversion efficiency (PCE) of 28.3%. Implementing a textured surface on the top cell significantly enhances light trapping and reduces reflection losses, further increasing the PCE to 31.9%. This surface texturing improves photon absorption in the perovskite layer while maintaining sufficient light transmission to the bottom cell. The results identify an optimal top-cell bandgap of approximately 2.31 eV, balancing photon harvesting and transmission for maximal tandem efficiency. This work uniquely combines bandgap tuning, thickness optimization, and surface texturing in a 4-T perovskite/Graphene/GaAs tandem structure, offering practical insights for next-generation solar cell design.

本工作提出了一个分析模型来优化由(FAPbI3)1−x(MAPbBr3)x钙钛矿顶部电池和石墨烯/砷化镓底部电池组成的机械堆叠四端串联太阳能电池的效率。钙钛矿吸收剂的可调带隙范围为1.52至2.31 eV,能够有效地与砷化镓亚电池的固定带隙1.42 eV进行光谱匹配。该模型结合了经过实验验证的AM1.5G照明下亚电池的光学和电学参数,可以准确地模拟串联器件的J-V特性。通过系统优化吸收体厚度和带隙组成,研究表明,当吸收体顶部厚度为1 μm、底部厚度为2 μm时,平面串联结构可实现28.3%的功率转换效率(PCE)。在顶部电池上实现纹理表面可以显著增强光捕获并减少反射损失,进一步将PCE提高到31.9%。这种表面纹理改善了钙钛矿层中的光子吸收,同时保持足够的光透射到底部电池。结果表明,最优的顶电池带隙约为2.31 eV,平衡光子收集和传输以获得最大的串联效率。这项工作独特地将带隙调谐、厚度优化和表面纹理化结合在4-T钙钛矿/石墨烯/砷化镓串联结构中,为下一代太阳能电池设计提供了实用的见解。
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引用次数: 0
DFT analysis and comparative 1D optoelectrical simulation of AcPbI3 halide perovskite solar cell: introducing a new perovskite layer AcPbI3卤化物钙钛矿太阳能电池的DFT分析及比较一维光电模拟:引入一种新的钙钛矿层
IF 4 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2026-01-29 DOI: 10.1007/s11082-026-08676-9
Leila Ebrahimkhani, Valiollah Mirkhani, Majid Moghadam, Shahram Tangestaninejad, Amir H. Montazer, Mohammad Ebrahimkhani, Iraj Mohammad poor-Baltork

While highly efficient solar cells use halide perovskites containing Pb, the unstable nature of the methylammonium (MA) cation at high temperatures interacting with lead iodide (PbI2) lattice is challenging and may hinder the commercialization of these devices. Here, a method is proposed to completely prevent the organic cation rotation in MAPbI3 perovskite by the substitution of CH3COHNH2+ (Ac) cation in the resonance form based on the calculations on structural, electronic and optical properties using Wien2k code with the FP-LAPW method. To observe the effect of Ac cation on power conversion efficiency (PCE), the structures of AcPbI3 and MAPbI3 perovskite solar cells (PSCs) with thin thicknesses (100–300 nm) are investigated using a solar cell capacitance simulator, numerically reproducing photocurrent–voltage characteristics and exciton generation rates of the perovskite structures. The electronic bandgap, optical conductivity, open-circuit voltage, photocurrent, fill factor, and PCE of AcPbI3 PSC are found to be about 1.63 eV, 1340 Ω⁻1 cm⁻1 (in the visible region), 1.062 V, 24.90 mA cm−2, 0.88, and 23.16%, respectively. Based on the electrical simulation results and a comparison of the proposed cation with the MA cation, a 29.74% efficiency improvement is achieved. Accordingly, the results envision a new path for the commercialization of PSCs with high efficiency and stability.

虽然高效太阳能电池使用含有Pb的卤化物钙钛矿,但甲基铵(MA)阳离子在高温下与碘化铅(PbI2)晶格相互作用的不稳定性具有挑战性,并可能阻碍这些设备的商业化。本文基于Wien2k编码和FP-LAPW方法对MAPbI3钙钛矿结构、电子和光学性质的计算,提出了一种通过共振形式取代CH3COHNH2+ (Ac)阳离子来完全阻止MAPbI3钙钛矿中有机阳离子旋转的方法。为了观察交流阳离子对功率转换效率(PCE)的影响,利用太阳能电池电容模拟器研究了AcPbI3和MAPbI3薄厚度(100-300 nm)钙钛矿太阳能电池(PSCs)的结构,数值模拟了钙钛矿结构的光电流电压特性和激子产生率。AcPbI3 PSC的电子带隙、光导率、开路电压、光电流、填充系数和PCE分别为1.63 eV、1340 Ω - 1 cm - 1(可见光区)、1.062 V、24.90 mA - cm - 2、0.88和23.16%。根据电学仿真结果以及与MA阳离子的比较,该阳离子的效率提高了29.74%。因此,研究结果为高效稳定的psc商业化开辟了一条新的道路。
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Optical and Quantum Electronics
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