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Retraction Note: Music photonic signal analysis based health monitoring system using classification by quantum machine learning techniques 撤稿说明:利用量子机器学习技术进行分类的基于音乐光子信号分析的健康监测系统
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07913-3
Dingjie Hou
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引用次数: 0
Reinforcing the characteristics of recyclable PVA/PVDF polymer blends via ZnO nanofiller 通过氧化锌纳米填料增强可回收 PVA/PVDF 聚合物共混物的特性
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07816-3
Shivratan Saini, Vimala Dhayal, N. S. Leel,  Ravina, A. M. Quraishi, S. Z. Hashmi, Saurabh Dalela, B. L. Choudhary, P. A. Alvi

This article explores the reinforcement of the chief characteristics of the polymer blends made of polyvinyl alcohol (PVA) and polyvinylidene fluoride (PVDF) via incorporation of ZnO (zinc oxide) nanofiller. The resulting PVA/PVDF/ZnO polymer nanocomposites were fabricated by the solution casting approach and characterized by key techniques such as XRD, FESEM, UV-Vis-NIR photo-spectrometer, impedance analyzer and FTIR spectrometer to examine the enhancement in structural parameters, surface morphology, optical and electrical parameters, and mechanism of functional groups. respectively. By optimizing and enhancing the wt% of ZnO nanoparticles, the resulting nanocomposites demonstrate improved structural (increase in crystalline size from 63 nm to 70 nm, reduction in dislocation density from 9.61 × 10− 5 to 6.49 × 10− 5 m− 2) and optical parameters (reduction in optical bandgap from 5.02 eV to 4.44 eV, increase in refractive index and Urbach energy from 1.98 to 2.10 and 1.5 to 4.0 eV, respectively); and dielectric performance (augmentation in dielectric constant and ac conductivity from ~ 12 to 60 and 0.003 to 0.009 S/mm, respectively) making them appropriate for a broad range of industrial applications. In FTIR spectra, the transmittance peaks at 880 cm⁻¹ and 833 cm⁻¹ indicate the -C-C-C chain characteristic of PVDF, while peaks at 1402 cm⁻¹ and 2920 cm⁻¹ correspond to -CH₂ groups in both PVA and PVDF. Additionally, peaks at 1068 cm⁻¹ and 1704 cm⁻¹ relate to -C-O and -C = O stretching, and the broad peak from 3500 cm⁻¹ to 3800 cm⁻¹ represents hydroxyl groups, with intensity increased by ZnO nanofiller. The uniform dispersion of ZnO within the PVA/PVDF polymer blends plays a key role in reinforcing the interfacial bonding between the polymers, leading to superior structural integrity and enhanced recyclability. This approach offers a sustainable pathway for the progress of high-performance polymeric nanocomposites with potential applications in electronics.

本文探讨了通过加入 ZnO(氧化锌)纳米填料来增强聚乙烯醇(PVA)和聚偏二氟乙烯(PVDF)聚合物混合物的主要特性。通过溶液浇注法制备了 PVA/PVDF/ZnO 聚合物纳米复合材料,并利用 XRD、FESEM、紫外-可见-近红外光谱仪、阻抗分析仪和傅立叶变换红外光谱仪等关键技术分别对其结构参数、表面形貌、光学和电学参数以及官能团机理进行了表征。通过优化和提高氧化锌纳米粒子的 wt%,纳米复合材料的结构参数(晶体尺寸从 63 nm 增加到 70 nm,位错密度从 9.61 × 10- 5 m- 2 降低到 6.49 × 10- 5 m- 2)和光学参数(光带隙从 5.02 eV 降低到 4.44 eV)都得到了改善。02 eV 降至 4.44 eV,折射率和厄巴赫能分别从 1.98 eV 增至 2.10 eV 和 1.5 eV 增至 4.0 eV);介电性能(介电常数和电导率分别从 ~ 12 增至 60 和从 0.003 S/mm 增至 0.009 S/mm)使其适用于广泛的工业应用。在傅立叶变换红外光谱中,880 cm-¹ 和 833 cm-¹ 处的透射峰表示 PVDF 的 -C-C-C 链特征,而 1402 cm-¹ 和 2920 cm-¹ 处的峰则对应于 PVA 和 PVDF 中的 -CH₂ 基团。此外,1068 cm-¹ 和 1704 cm-¹ 处的峰与 -C-O 和 -C = O 伸展有关,3500 cm-¹ 至 3800 cm-¹ 处的宽峰代表羟基,ZnO 纳米填料会增加其强度。ZnO 在 PVA/PVDF 聚合物共混物中的均匀分散在加强聚合物之间的界面结合方面发挥了关键作用,从而实现了优异的结构完整性并提高了可回收性。这种方法为高性能聚合物纳米复合材料的发展提供了一条可持续的途径,有望应用于电子领域。
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引用次数: 0
Effect of indium molar content in AlxInyGa(1-x–y)N/AlaGabN orderly quantized integrated quantum barrier for highly efficient droop free UV-C LEDs AlxInyGa(1-x-y)N/AlaGabN 有序量子化集成量子势垒中铟摩尔含量对高效无垂钓 UV-C LED 的影响
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07609-8
Indrani Mazumder, Kashish Sapra, Ashok Chauhan, Manish Mathew, Kuldip Singh

This article proposes a new Ultra-Violet (UV)-C Light emitting Diode (LED) structure based on orderly aligned Quaternary Nitride alloy based specially-designed quantized quantum barrier. In this article, we theoretically investigate the performance such as internal quantum efficiency (IQE), efficiency droop etc. of proposed structure and also compare it with the reference UV-C LED structure. In this proposed structure, there is no sudden potential barrier as in case of reference structure because of the strain compensation provided by the quantized periodic Superlattice-AlxInyGa(1-x–y)N/ AlaGabN quantum barrier. Active region epilayer crystal orientation balanced by introducing ‘In' molar content in alternate sub-layers of quantum barrier (QB). This allows for stronger carrier confinement in the active region, which enhances IQE to 72% from 32% (reference structure) and reduction in efficiency droop from 11% to 0.05% at current density of 200 A-cm−2. The variation in the density of states (DOS) for carrier allocation due to strain balance in the quantum barrier compared to the quantum wells (QW) is responsible for the significant increase in the electro-optical efficiency of the light emitting device.

本文提出了一种新型紫外线(UV)-C 发光二极管(LED)结构,该结构基于有序排列的四氮化物合金,并基于专门设计的量子势垒。在本文中,我们从理论上研究了所提结构的性能,如内部量子效率(IQE)、效率骤降等,并将其与参考的 UV-C LED 结构进行了比较。在这种拟议结构中,由于量子化周期性超晶格-AlxInyGa(1-x-y)N/ AlaGabN 量子势垒提供了应变补偿,因此不像参考结构那样存在突变势垒。通过在量子势垒(QB)的交替子层中引入 "In "摩尔含量来平衡有源区外延层的晶体取向。这使得有源区的载流子束缚更强,从而将 IQE 从 32%(参考结构)提高到 72%,并将电流密度为 200 A-cm-2 时的效率下降率从 11% 降至 0.05%。与量子阱(QW)相比,量子势垒中的应变平衡导致的载流子分配状态密度(DOS)的变化是发光器件电光效率显著提高的原因。
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引用次数: 0
High dense cadmium lead-borate glasses: fabrication, physical properties and capability for γ-ray and neutron shields 高密度铅硼酸镉玻璃:制造、物理性质以及用于γ射线和中子屏蔽的能力
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-06751-7
Norah A. M. Alsaif, Hanan Al-Ghamdi, Z. Y. Khattari, Nada Alfryyan, A. M. Abdelghany, A. S. Abouhaswa, Y. S. Rammah

High dense cadmium lead-borate glasses with nominal compositions of (75-X)B2O3-XPbO-5Na2O-10CdO-10ZnO: X = 5–20 mol% in steps of 5 were fabricated via the melt quenching technique. The physical features and the capability of applying the prepared glasses as γ-ray and fast neutron shields have been investigated. The density (Ds) values increased from 4.820 g.cm−3 to 5.664 g cm−3 as PbO content increased from 5 to 20 mol% in the glass network. The polaron radius (rp) increased, while the field strength (F) reduced as PbO content increased. The boron ion concentration (NB) of the investigated glasses decreased from 2.231 × 1022 (ions.cm−3) to 1.503 × 1022 (ions/cm3). The inter-ionic distance (ri) values increased from 3.551 to 4.051 Ao. Values of the packing density (Pd) decreased from 0.888 to 0.695. The free volume (Vf) enhanced from 2.105 to 6.698 g mol−1 cm−2. The sample BPNCZPb-20 possessed the highest exposure (EBF) and energy absorption (EABF) buildup factors values at 1– 40 MFP among all investigated glasses. The half- value layer (HVLFCS) and the relaxation length (λFCS) values were the lowest for the BPNCZPb-5 glass sample. Therefore, the sample coded as BPNCZPb-20 can be considered as γ-ray shield, but BPNCZPb-5 glass can be used as a neutron shield.

通过熔体淬火技术制备了高密度铅硼酸镉玻璃,其标称成分为(75-X)B2O3-XPbO-5Na2O-10CdO-10ZnO:X = 5-20 mol%,以 5 为单位。研究了所制备玻璃的物理特性以及将其用作γ射线和快中子屏蔽的能力。随着玻璃网络中氧化铅含量从 5 摩尔%增加到 20 摩尔%,密度(Ds)值从 4.820 克/厘米-3 增加到 5.664 克/厘米-3。随着氧化铅含量的增加,极子半径(rp)增大,而场强(F)减小。所研究玻璃的硼离子浓度(NB)从 2.231 × 1022(离子.cm-3)降至 1.503 × 1022(离子/cm3)。离子间距 (ri) 值从 3.551 Ao 增加到 4.051 Ao。堆积密度 (Pd) 值从 0.888 降至 0.695。自由体积(Vf)从 2.105 g mol-1 cm-2 增加到 6.698 g mol-1cm-2。在所有研究的玻璃中,BPNCZPb-20 样品在 1- 40 MFP 时的暴露(EBF)和能量吸收(EABF)堆积因子值最高。BPNCZPb-5 玻璃样品的半值层(HVLFCS)和弛豫长度(λFCS)值最低。因此,编码为 BPNCZPb-20 的样品可视为γ射线屏蔽,而 BPNCZPb-5 玻璃则可用作中子屏蔽。
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引用次数: 0
Selection of hole transport layers through lattice mismatching using SCAPS-1D 利用 SCAPS-1D 通过晶格错配选择空穴传输层
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07447-8
Ritu,  Priyanka, Vinod Kumar, Ramesh Kumar, Fakir Chand

In this article, a lead-free structure FTO/TiO2/NH3(CH2)2NH3MnCl4/spiro-OMeTAD/Au is investigated using SCPAS-1D simulator. Initially, impact of absorber thickness on performance is thoroughly examined and found 900 nm thick absorber solar cell superiuses performer (open circuit voltage = 1.18 V, short circuit current density = 24.47 mA/cm2, fill factor = 70.88%, power conversion efficiency = 19.70%). Further, numerous inorganic materials are investigated through lattice mismatching ratio as substitute of organic hole transport layer and CZTSe as the most adequate materials for enhancing both efficiency and stability owing to minimal lattice mismatching, easy synthesis, efficient charge transport characteristics and superior chemical stability. Serval metallic materials like Cu, Fe, C, W, Ni and Pd are used as back contacts, are also examined with an aim of replacing the expensive Au and it is found that the proposed structure offers highest efficiency with Pd i.e., 31.60% (Voc = 1.13 V, Jsc = 32.94 mA/cm2 and FF = 84.55%). Additionally, the effect of defects density of absorber and temperature on device performance are also analysed and observed both factors adversely affects device performance. So, their values kept minimum for achieving optimal efficiency. The simulated results also illustrated in J-V and quantum efficiency (QE) curves. These optimised results obtained in present study are also compared with previously reported results. The results extracted from this simulation may play a potent role in the development of eco-friendly and efficient solar technology.

本文使用 SCPAS-1D 模拟器研究了无铅结构 FTO/TiO2/NH3(CH2)2NH3MnCl4/spiro-OMeTAD/Au。初步研究了吸收体厚度对性能的影响,发现 900 nm 厚的吸收体太阳能电池性能更优(开路电压 = 1.18 V,短路电流密度 = 24.47 mA/cm2,填充因子 = 70.88%,功率转换效率 = 19.70%)。此外,还通过晶格失配比研究了许多无机材料,以取代有机空穴传输层,其中 CZTSe 是最适合提高效率和稳定性的材料,因为它具有最小晶格失配、易于合成、高效电荷传输特性和出色的化学稳定性。为了取代昂贵的金,我们还研究了铜、铁、碳、瓦、镍和钯等薮金属材料作为背触点,结果发现,所提出的结构与钯相比具有最高的效率,即 31.60%(Voc = 1.13 V,Jsc = 32.94 mA/cm2 和 FF = 84.55%)。此外,还分析了吸收体的缺陷密度和温度对器件性能的影响。因此,为了达到最佳效率,应将这两个因素的值保持在最低水平。模拟结果还显示在 J-V 和量子效率 (QE) 曲线上。本研究获得的这些优化结果还与之前报告的结果进行了比较。从该模拟中提取的结果可能会在开发环保高效的太阳能技术中发挥重要作用。
{"title":"Selection of hole transport layers through lattice mismatching using SCAPS-1D","authors":"Ritu,&nbsp; Priyanka,&nbsp;Vinod Kumar,&nbsp;Ramesh Kumar,&nbsp;Fakir Chand","doi":"10.1007/s11082-024-07447-8","DOIUrl":"10.1007/s11082-024-07447-8","url":null,"abstract":"<div><p>In this article, a lead-free structure FTO/TiO<sub>2</sub>/NH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>NH<sub>3</sub>MnCl<sub>4</sub>/spiro-OMeTAD/Au is investigated using SCPAS-1D simulator. Initially, impact of absorber thickness on performance is thoroughly examined and found 900 nm thick absorber solar cell superiuses performer (open circuit voltage = 1.18 V, short circuit current density = 24.47 mA/cm<sup>2</sup>, fill factor = 70.88%, power conversion efficiency = 19.70%). Further, numerous inorganic materials are investigated through lattice mismatching ratio as substitute of organic hole transport layer and CZTSe as the most adequate materials for enhancing both efficiency and stability owing to minimal lattice mismatching, easy synthesis, efficient charge transport characteristics and superior chemical stability. Serval metallic materials like Cu, Fe, C, W, Ni and Pd are used as back contacts, are also examined with an aim of replacing the expensive Au and it is found that the proposed structure offers highest efficiency with Pd i.e., 31.60% (V<sub>oc</sub> = 1.13 V, J<sub>sc</sub> = 32.94 mA/cm<sup>2</sup> and FF = 84.55%). Additionally, the effect of defects density of absorber and temperature on device performance are also analysed and observed both factors adversely affects device performance. So, their values kept minimum for achieving optimal efficiency. The simulated results also illustrated in J-V and quantum efficiency (QE) curves. These optimised results obtained in present study are also compared with previously reported results. The results extracted from this simulation may play a potent role in the development of eco-friendly and efficient solar technology.</p></div>","PeriodicalId":720,"journal":{"name":"Optical and Quantum Electronics","volume":"56 12","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Spectroscopic characteristics and radiative parameters of Er+3 doped ternary lead bismuth tellurite glass: Judd–Ofelt analysis 掺杂 Er+3 的三元铅铋碲玻璃的光谱特性和辐射参数:贾德-奥菲尔特分析
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07109-9
Ahmed A. Ahmed, Saman Q. Mawlud

Melt quenching was utilized to produce Er+3-doped lead–bismuth tellurite glasses with the following composition: (75-x) TeO2–15 PbO–10 Bi2O3–xEr2O3, where x = 0, 0.5, 1, 1.5, 2, and 2.5 mol%. The impact of Er3+ doping was assessed by analyzing its optical and physical properties. Using XRD, the non-crystalline character of the materials was determined. The density of the samples was increased from 6.387 to 6.528 g.cm−3. The absorption spectra show eight transition bands corresponding to the transitions from 4I15/2 to 4I13/2, 4I11/2, 4I9/2, 4F9/2, 4S3/2, 2H11/2, 4F7/2 and 4F5/2, respectively. Judd–Ofelt theory was utilized to compute both the experimental and calculated oscillator strengths. The trends of the intensity parameters are as follows: Ω2 > Ω6 > Ω4. A total of three emission bands were detected in the spectrum of fluorescence. The green transition 4S3/2 → 4I15/2 is the strongest among other transitions. To ascertain the color coordinates, the CIE 1931 chromaticity diagram was applied. 95.11% was the maximum quantum efficiency for the transition 4S3/2 → 4I15/2. The findings indicate that TPBE2 glass exhibits considerable potential as a material for photonic applications and the production of laser optical systems.

利用熔融淬火技术制备了掺杂 Er+3 的铅铋碲玻璃,其组成如下:(75-x) TeO2-15 PbO-10 Bi2O3-xEr2O3,其中 x = 0、0.5、1、1.5、2 和 2.5 摩尔%。通过分析其光学和物理性质,评估了掺杂 Er3+ 的影响。通过 XRD,确定了材料的非晶特性。样品的密度从 6.387 g.cm-3 增加到 6.528 g.cm-3。吸收光谱显示出八个过渡带,分别对应于 4I15/2 到 4I13/2、4I11/2、4I9/2、4F9/2、4S3/2、2H11/2、4F7/2 和 4F5/2。利用 Judd-Ofelt 理论计算了实验振子强度和计算振子强度。强度参数的变化趋势如下:Ω2 > Ω6 > Ω4。荧光光谱中共检测到三条发射带。其中,绿色跃迁 4S3/2 → 4I15/2 是最强的跃迁。为了确定色坐标,采用了 CIE 1931 色度图。4S3/2 → 4I15/2 转变的最大量子效率为 95.11%。研究结果表明,TPBE2 玻璃作为一种材料,在光子应用和激光光学系统生产方面具有相当大的潜力。
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引用次数: 0
Enhancement of MAPb0.75Sn0.25I3 solar cell efficiency by doping HTL and ETL layers 通过掺杂 HTL 和 ETL 层提高 MAPb0.75Sn0.25I3 太阳能电池的效率
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07812-7
Doua Abdallaoui, Afak Meftah, Nouredine Sengouga, Maroua Abdallaoui, Madani Labed

Numerical simulation of a lead–tin perovskite (MAPb0.75Sn0.25I3) solar cell was conducted. The simulation was validated against measurements (Li et al., J. Mater. Chem. C Mater. 5:2360–2367, 2017) and the photovoltaic conversion efficiency (PCE) closely matched the measured value, 12.19≈12.08%. Subsequently, optimization strategies to enhance the SC performance were pursued. Doping hole and electron transport layers (HTL, ETL) with various elements as well as adjusting HTL, ETL, and perovskite thicknesses have improved PCE and carriers’ extraction. These optimizations led to an enhancement in PCE to 12.93%. Further improvements using Copper oxide (Cu2O) as HTL yielded a PCE of 13.38%. Doping Cu2O with Tellurium pushed PCE to 14.73%. Copper doping of Zinc Oxide outperformed other ETLs and increased PCE to 15.33%. Overall, these findings represent significant strides in advancing the design of perovskite solar cells, providing valuable insights for further enhancements in photovoltaic conversion efficiency.

对铅锡包晶(MAPb0.75Sn0.25I3)太阳能电池进行了数值模拟。模拟结果与测量值进行了验证(Li 等人,J. Mater. Chem. C Mater. 5:2360-2367, 2017),光电转换效率(PCE)与测量值 12.19≈12.08% 非常接近。随后,研究人员采用优化策略来提高太阳能电池的性能。通过在空穴和电子传输层(HTL、ETL)中掺杂各种元素以及调整 HTL、ETL 和包晶厚度,提高了 PCE 和载流子萃取率。这些优化措施使 PCE 提高到了 12.93%。使用氧化铜(Cu2O)作为 HTL 的进一步改进使 PCE 达到 13.38%。在 Cu2O 中掺入碲将 PCE 提高到 14.73%。在氧化锌中掺铜的效果优于其他 ETL,使 PCE 增加到 15.33%。总之,这些发现标志着在推进包晶体太阳能电池设计方面取得了重大进展,为进一步提高光电转换效率提供了宝贵的见解。
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引用次数: 0
Retraction Note: Quantum computing in photonic integrated circuit smart data analysis using deep learning in healthcare and sports 撤稿说明:光子集成电路中的量子计算 在医疗保健和体育领域利用深度学习进行智能数据分析
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07915-1
Wang Ju
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引用次数: 0
Solar thermal application and optimization of a staircase-shaped resonator broadband solar absorber 阶梯形谐振器宽带太阳能吸收器的太阳能热应用和优化
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07623-w
Meshari Alsharari, Jonas Muheki, Jaymit Surve, Ammar Armghan, Khaled Aliqab, Shobhit K. Patel

The development of efficient energy absorbers is essential for optimizing solar energy utilization, particularly for applications such as thermophotovoltaics and other solar energy harvesting technologies. Current research typically focuses on improving the efficiency of the solar absorbers with low-cost materials. This study addresses this limitation by introducing a broadband solar absorber with a staircase-shaped resonator structure. The absorber employs tungsten as the substrate due to its high thermal conductivity and stability, with a GaInAsP layer forming the staircase resonator. Simulations using finite element methods demonstrate that the proposed two-layered structure achieves over 90% absorption within the 200–3000 nm wavelength range, including ultraviolet and visible spectra. This broad absorption range maximizes solar energy capture and conversion efficiency. A parametric examination demonstrates how geometric factors like substrate depth and resonator dimensions affect the absorption effectiveness. The unique staircase shape of the resonator enhances light trapping and absorption across the full spectrum. Under real-world conditions, the absorber effectively captures solar energy across various angles and polarizations. These findings contribute to the advancement of energy absorber design and offer insights for future innovations in solar energy harvesting.

开发高效的能量吸收器对于优化太阳能利用,尤其是热光电和其他太阳能收集技术等应用至关重要。目前的研究通常侧重于利用低成本材料提高太阳能吸收器的效率。本研究针对这一局限,推出了一种具有阶梯形谐振器结构的宽带太阳能吸收器。由于钨具有高导热性和稳定性,该吸收器采用钨作为基底,并由 GaInAsP 层构成阶梯形谐振器。利用有限元方法进行的模拟证明,所提出的双层结构在 200-3000 纳米波长范围内实现了 90% 以上的吸收率,包括紫外线和可见光谱。这一广泛的吸收范围最大限度地提高了太阳能捕获和转换效率。参数测试表明了基底深度和谐振器尺寸等几何因素如何影响吸收效果。谐振器独特的阶梯形状增强了对全光谱光的捕获和吸收。在实际条件下,该吸收器能有效捕获各种角度和偏振的太阳能。这些发现有助于推动能量吸收器设计的发展,并为未来太阳能收集领域的创新提供了启示。
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引用次数: 0
DFT study of elastic, structural, and optical properties of K2InAgZ6 (Z = Cl, Br, I) perovskites: potential for optoelectronic applications K2InAgZ6(Z = Cl、Br、I)包晶的弹性、结构和光学特性的 DFT 研究:光电应用潜力
IF 3.3 3区 工程技术 Q2 ENGINEERING, ELECTRICAL & ELECTRONIC Pub Date : 2024-11-20 DOI: 10.1007/s11082-024-07769-7
Sohail Ahmad, Muhammad Zakria, Khalid M. Alotaibi, Tabasum Huma, Nadimullah Hakimi, Rawaid Ali,  Qasimullah, Akif Safeen, Jing Feng, Syed Hatim Shah

In this article, a comprehensive research was carried out to investigate the elastic, structural, and optoelectronic properties of double perovskite compounds K2InAgCl6, K2InAgBr6, and K2InAgI6 by using density functional theory. Goldsmith’s tolerance factor (tG), whose values are near to unity, was used to assess the structural stability of the cubic perovskite structure. According to the analysis of electronic characteristic, K2InAgCl6, K2InAgBr6, and K2InAgI6 are semiconductors with a tiny band gap, calculated using the mBJ-PBE sol potential with band gap values of 2.48 eV, 1.47 eV, and 0.23 eV, respectively. A comprehensive analysis of the optical characteristics of these compounds was conducted across an energy range from 0 to 10 eV. The results revealed that K2InAgCl6, K2InAgBr6, and K2InAgI6 exhibit significant conductivity and absorbance properties in wide energy ranges, which is confirmed by density of states analysis. Moreover, the optical characteristics shows that lower photon energy relates to high optical transmission, while higher energies result in more optical absorption of material. These results demonstrate that K2InAgCl6, K2InAgBr6, and K2InAgI6 are viable material candidates for use in high-frequency UV optical devices.

本文采用密度泛函理论,对双包晶化合物 K2InAgCl6、K2InAgBr6 和 K2InAgI6 的弹性、结构和光电特性进行了全面研究。戈德史密斯公差因子(tG)的值接近于一,被用来评估立方包晶结构的稳定性。根据电子特性分析,K2InAgCl6、K2InAgBr6 和 K2InAgI6 是具有微小带隙的半导体,利用 mBJ-PBE 溶胶势计算的带隙值分别为 2.48 eV、1.47 eV 和 0.23 eV。在 0 至 10 eV 的能量范围内对这些化合物的光学特性进行了全面分析。结果表明,K2InAgCl6、K2InAgBr6 和 K2InAgI6 在宽能量范围内表现出显著的导电性和吸光特性,这一点通过态密度分析得到了证实。此外,光学特性表明,光子能量越低,材料的光学透射率越高,而能量越高,材料的光学吸收率越高。这些结果表明,K2InAgCl6、K2InAgBr6 和 K2InAgI6 是可用于高频紫外光器件的候选材料。
{"title":"DFT study of elastic, structural, and optical properties of K2InAgZ6 (Z = Cl, Br, I) perovskites: potential for optoelectronic applications","authors":"Sohail Ahmad,&nbsp;Muhammad Zakria,&nbsp;Khalid M. Alotaibi,&nbsp;Tabasum Huma,&nbsp;Nadimullah Hakimi,&nbsp;Rawaid Ali,&nbsp; Qasimullah,&nbsp;Akif Safeen,&nbsp;Jing Feng,&nbsp;Syed Hatim Shah","doi":"10.1007/s11082-024-07769-7","DOIUrl":"10.1007/s11082-024-07769-7","url":null,"abstract":"<div><p>In this article, a comprehensive research was carried out to investigate the elastic, structural, and optoelectronic properties of double perovskite compounds K<sub>2</sub>InAgCl<sub>6</sub>, K<sub>2</sub>InAgBr<sub>6</sub>, and K<sub>2</sub>InAgI<sub>6</sub> by using density functional theory. Goldsmith’s tolerance factor (t<sub>G</sub>), whose values are near to unity, was used to assess the structural stability of the cubic perovskite structure. According to the analysis of electronic characteristic, K<sub>2</sub>InAgCl<sub>6</sub>, K<sub>2</sub>InAgBr<sub>6</sub>, and K<sub>2</sub>InAgI<sub>6</sub> are semiconductors with a tiny band gap, calculated using the mBJ-PBE sol potential with band gap values of 2.48 eV, 1.47 eV, and 0.23 eV, respectively. A comprehensive analysis of the optical characteristics of these compounds was conducted across an energy range from 0 to 10 eV. The results revealed that K<sub>2</sub>InAgCl<sub>6</sub>, K<sub>2</sub>InAgBr<sub>6</sub>, and K<sub>2</sub>InAgI<sub>6</sub> exhibit significant conductivity and absorbance properties in wide energy ranges, which is confirmed by density of states analysis. Moreover, the optical characteristics shows that lower photon energy relates to high optical transmission, while higher energies result in more optical absorption of material. These results demonstrate that K<sub>2</sub>InAgCl<sub>6</sub>, K<sub>2</sub>InAgBr<sub>6</sub>, and K<sub>2</sub>InAgI<sub>6</sub> are viable material candidates for use in high-frequency UV optical devices.</p></div>","PeriodicalId":720,"journal":{"name":"Optical and Quantum Electronics","volume":"56 12","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142672445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
期刊
Optical and Quantum Electronics
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