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Unveiling the efficiency potential of simplified-structure CIGSe solar cells: Band alignment optimization and recombination analysis 揭示简化结构CIGSe太阳能电池的效率潜力：波段对准优化和重组分析

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-01-23 DOI: 10.1016/j.solmat.2026.114175

Mengyao Jia , Daming Zhuang , Ming Zhao , Qianming Gong , Hao Tong , Junsu Han , Shengye Tao , Hanpeng Wang , Zhihao Wu , Jihui Zhou

Completely buffer-free CIGSe solar cells feature a simplified device structure that enhances light absorption in the absorber and streamlines the fabrication process. In this study, such simplified-structure CIGSe devices based on Zn_1-xMg_xO:Al transparent electrodes were fabricated. The Zn_1-xMg_xO:Al films with varying Mg concentrations were prepared using a co-sputtering method. Experimental results demonstrate that Mg incorporation effectively tunes the energy band structure of Zn_1-xMg_xO:Al films as well as the band alignment at the Zn_1-xMg_xO:Al/CIGSe interface, leading to a significant improvement in device performance. Through the introduction of CdS layers with varying thicknesses, this study conducts a systematic analysis and comparative investigation of recombination mechanisms in devices with different p–n junction structures. The carrier recombination rates calculated from V_OC–(G,T) measurements indicate that the dominant recombination pathway strongly depends on the device structure. For unoptimized buffer-free cells, severe recombination occurs at the p–n junction interface, due to the band alignment mismatch. This issue was significantly mitigated by introducing a positive conduction band offset at the Zn_1-xMg_xO:Al/CIGSe interface through Mg doping. As a result, a completely buffer-free CIGSe solar cell fabricated by sputtering process achieved an efficiency of 11.3 %, and the average efficiency showed a 34 % increase, demonstrating the potential of simplified-structure CIGSe solar cells.

完全无缓冲的CIGSe太阳能电池具有简化的器件结构，可以增强吸收器中的光吸收并简化制造过程。本研究制作了基于Zn1-xMgxO:Al透明电极的简化结构CIGSe器件。采用共溅射法制备了不同Mg浓度的Zn1-xMgxO:Al薄膜。实验结果表明，Mg的掺入有效地调节了Zn1-xMgxO:Al薄膜的能带结构以及Zn1-xMgxO:Al/CIGSe界面处的能带对准，从而显著提高了器件性能。本研究通过引入不同厚度的CdS层，对不同pn结结构器件中的复合机理进行了系统的分析和比较研究。从VOC - （G，T）测量计算的载流子重组率表明，主要的重组途径强烈依赖于器件结构。对于未优化的无缓冲单元，由于带对准不匹配，在p-n结界面发生严重的重组。通过Mg掺杂，在Zn1-xMgxO:Al/CIGSe界面引入正导带偏移，显著缓解了这一问题。结果表明，采用溅射法制备的完全无缓冲的CIGSe太阳能电池的效率达到了11.3%，平均效率提高了34%，显示了结构简化的CIGSe太阳能电池的潜力。

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引用次数: 0

Effect of electron-withdrawing/-donating groups of thiourea molecules on surface defects restraint and carrier transport optimization for perovskite solar cells 硫脲分子吸电子/供电子基团对钙钛矿太阳能电池表面缺陷抑制和载流子输运优化的影响

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-01-26 DOI: 10.1016/j.solmat.2026.114194

Wenze Feng , Junshuai Zhang , Bingying Sun , Guohui Yang , Jiaxing Jiao , Xiaofan Liu , Tao Ning , Yansu Shan , Ning Li , Jinkai Li , Bingqiang Cao

Interface engineering with organic molecules has been proven to be an effective way to improve both photovoltaic performance and operation stability of perovskite solar cells (PSCs). But in-depth understanding the influences of electronic effect of molecular structures on the defect passivation and charge dynamics optimization remains shielded so far. Herein, a series of thiourea-containing molecules with different side groups, including N-phenylthiourea (PTU), (4-nitrophenyl) thiourea (NTU) and (4-methoxyphenyl) thiourea (MTU), have been applied into interface engineering of wide-bandgap (WBG, E_g = 1.67 eV) PSCs. In comparison with PTU, MTU exhibits the strongest defect passivation capacity, and it significantly optimizes the charge extraction and transfer of WBG PSCs due to the electron-donating conjugation effect of -OCH₃ group. On the contrary, the electron-withdrawing inductive effect of -NO₂ group not only greatly reduces the coordination interaction between the thiourea unit and defective perovskite surface, but also leads to limited energy level arrangement of perovskite films. Consequently, the MTU-treated device achieves the champion power conversion efficiency (PCE) of 22.25 % along with excellent open-circuit voltage (V_OC) of 1.21 V and short-circuit current density (J_SC) of 21.96 mA/cm². Additionally, the unencapsulated device displays an improved long-term operation stability.

有机分子界面工程是提高钙钛矿太阳能电池（PSCs）光伏性能和运行稳定性的有效途径。但对于分子结构的电子效应对缺陷钝化和电荷动力学优化的影响，目前还没有深入的认识。本文将n -苯基硫脲（PTU）、（4-硝基苯基）硫脲（NTU）和（4-甲氧基苯基）硫脲（MTU）等具有不同侧基的含硫脲分子应用于宽带隙（WBG, Eg = 1.67 eV） PSCs的界面工程。与PTU相比，MTU表现出最强的缺陷钝化能力，由于-OCH3基团的给电子共轭作用，MTU显著优化了WBG psc的电荷提取和转移。相反，-NO2基团的吸电子感应效应不仅大大降低了硫脲单元与缺陷钙钛矿表面之间的配位相互作用，而且导致钙钛矿薄膜的能级排列受到限制。因此，经过mtu处理的器件实现了22.25%的冠军功率转换效率（PCE），以及1.21 V的开路电压（VOC）和21.96 mA/cm2的短路电流密度（JSC）。此外，未封装的设备显示出更好的长期运行稳定性。

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引用次数: 0

Enhancing the thermal performance of hemispherical solar distillers using an innovative, sophisticated combination of enhancements 增强半球形太阳能蒸馏器的热性能，使用创新的，复杂的增强组合

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-10 DOI: 10.1016/j.solmat.2026.114231

Habib Ben Bacha , A.S. Abdullah , Mohamed Abdelgaied , K. Harby

This study presents an innovative, sophisticated combination of enhancements to the design of hemispherical solar distillers, aiming to improve convection heat transfer, ensure thermally stable and efficient performance, and thus improve their thermal performance and freshwater production. To achieve this goal, the hemispherical solar distiller design was developed using an innovative, sophisticated combination of improvements, namely: stainless-steel scrubber wires wound around cylindrical magnets, nanofluids, and reflectors. To achieve this experimentally, the performance of the modified design of hemispherical solar distiller was investigated under four cases, Case 1; integration with stainless-steel scrubber wires, Case 2; integration with stainless-steel scrubber wires wound around circular magnetic fins, Case 3; combined stainless-steel scrubber wires wound around cylindrical magnets with nanofluids, Case 4; an innovative combination of stainless-steel scrubber wires wound around cylindrical magnets, nanofluids, and reflectors. The four modification cases were compared with the reference traditional hemispherical solar distiller (THSD) in the same climate conditions. The results showed a significant improvement in the performance of Case 4, which involved using the innovative, sophisticated combination of improvements. This achieved a production capacity of 10.02 L/m² day, representing a 161.62% improvement over THSD (3.83 L/m² day). Thermally, these design modifications resulted in a 157.99% and 434.1% improvement in thermal and exergy efficiency, respectively, over THSD. Economically, Case 4 achieved the lowest production cost of 3.9 $/m³, a 53.67% reduction over THSD. Environmentally, Case 4 achieved the highest lifetime CO₂ emissions mitigation of 1.17 tons, equivalent to 3.26 times that of THSD.

本研究提出了一种创新的、复杂的半球形太阳能蒸馏器的设计改进组合，旨在改善对流传热，确保热稳定和高效的性能，从而提高其热性能和淡水产量。为了实现这一目标，半球形太阳能蒸馏器的设计采用了一种创新的、复杂的改进组合，即：不锈钢洗涤线缠绕在圆柱形磁铁、纳米流体和反射器上。为了实现这一目标，实验研究了改进设计的半球形太阳能蒸馏器在四种情况下的性能：情况1；与不锈钢洗涤丝集成，案例2；与缠绕在圆形磁性翅片上的不锈钢洗涤丝集成，案例3；用纳米流体缠绕圆柱形磁铁的不锈钢洗涤丝组合，案例4；不锈钢洗涤线缠绕在圆柱形磁铁、纳米流体和反射器上的创新组合。在相同的气候条件下，将四种改造方案与传统的半球形太阳能蒸馏器（THSD）进行比较。结果显示，案例4的性能有了显著改善，其中包括使用创新的、复杂的改进组合。这实现了10.02 L/m2日的生产能力，比THSD （3.83 L/m2日）提高了161.62%。在热力方面，与THSD相比，这些设计改进分别使热效率和火用效率提高了157.99%和434.1%。在经济上，Case 4实现了最低的生产成本，为3.9美元/立方米，比THSD降低了53.67%。在环境方面，案例4实现了最高的生命周期二氧化碳减排1.17吨，相当于THSD的3.26倍。

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引用次数: 0

Investigation of thermophysical properties enhancement of nanofluids based on molten salt for solar energy storage: a molecular dynamic study 基于熔盐的太阳能储能纳米流体热物理性能增强研究：分子动力学研究

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-03 DOI: 10.1016/j.solmat.2026.114183

Xin Xiao, Jinjin Liu, Mengting Yao

In solar thermal power stations, molten salt serves as a prevalent medium for thermal energy storage. Due to the low intrinsic thermal properties of pure molten salt, performance enhancement is effectively achieved by incorporating nano-materials. In the present study, molecular dynamics simulations were employed to evaluate the influences of adding 0, 1, 2, 3, 4, 5 and 6 wt% SiO₂ or Al₂O₃ nanoparticles on the thermal properties of solar salt, including viscosity, specific heat capacity, thermal conductivity, and interfacial thermal resistance. And the accuracy of the simulations was verified by experimental tests for the density and specific heat capacity of the prepared sample. The results indicate that the viscosity and thermal conductivity increase with increasing the mass fraction of nanoparticle. The enhancement of viscosity by SiO₂ nanoparticles is more pronounced than that by Al₂O₃ nanoparticles. This effect is attributed to a stronger suppression of the Brownian motion of base liquid atoms by SiO₂, as evidenced by the calculated mean square displacement. It is found that the interfacial thermal resistance has negative influence on the thermal conductivity of sample. The unstable compressed ion layers might be responsible for the weaker enhancement of thermal conductivity. An increase in specific heat capacity is observed with the addition of 1–2 wt.% SiO₂ or Al₂O₃ nanoparticles, which is attributed to the formation of K⁺ compressed layers on the nanoparticle surfaces, as evidenced by the calculated radial distribution function.

在太阳能热电站中，熔盐是一种普遍的储热介质。由于纯熔盐的固有热性能较低，因此通过加入纳米材料可以有效地实现性能增强。在本研究中，采用分子动力学模拟来评估添加0、1、2、3、4、5和6 wt% SiO2或Al2O3纳米颗粒对太阳盐热性能的影响，包括粘度、比热容、导热系数和界面热阻。通过对制备样品的密度和比热容的实验测试，验证了模拟的准确性。结果表明，随着纳米颗粒质量分数的增加，纳米颗粒的粘度和导热系数增大。SiO2纳米颗粒对黏度的增强作用比Al2O3纳米颗粒更明显。计算的均方位移证明，这种效应是由于SiO2对基液原子的布朗运动有较强的抑制作用。研究发现，界面热阻对样品的导热系数有负向影响。不稳定的压缩离子层可能是热导率增强较弱的原因。当添加1-2 wt.%的SiO2或Al2O3纳米颗粒时，比热容增加，这是由于在纳米颗粒表面形成了K+压缩层，计算得到的径向分布函数证明了这一点。

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引用次数: 0

Experimental study on the energy performance of a solar PV/T system based on capric acid–docosane/SiO2 composite phase change fluid 癸酸-十二烷/SiO2复合相变流体太阳能PV/T系统能量性能的实验研究

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-03 DOI: 10.1016/j.solmat.2026.114211

Minxiao Hu , Hongbing Chen , Fengjiao Yu , Yuhang Liu , Pingjun Nie , Meibo Xing , Zihan Zhang , Zhihui Zhang

Conventional heat transfer fluids are facing challenges in enhancing the energy efficiency of PV/T systems, primarily due to their limited latent heat capacity and narrow operational temperature range. This study developed a CA-DE/SiO₂ composite nano-phase change fluid. It was formulated by integrating a binary phase change material consisting of 20 wt% capric acid (CA)–docosane (DE) in a 1:1 mass ratio along with 0.5 wt% silicon dioxide (SiO₂) nanoparticles. The fluid exhibits a latent heat of 34.39 kJ/kg, thermal conductivity of 0.4783 W/(m·K), phase change temperatures of 20.9 °C and 41.7 °C, and stable thermal properties over 50 thermal cycles. Then, the CA-DE/SiO₂ composite nano-phase change fluid was incorporated into a PV/T system to validate its performance enhancement relative to a water cooling system. Experimental findings reveal that the CA–DE/SiO₂ nanofluid increased daily average electrical, thermal, and total energy outputs by 7.85%, 55.06%, and 44.59%, respectively. Daily average electrical, thermal, and overall efficiencies for the CA-DE/SiO₂-based system reached 13.11%, 59.52%, and 90.57%, representing improvements of 7.9%, 31.33%, and 22.23% than those of the water-based system.

传统的传热流体在提高PV/T系统的能源效率方面面临挑战，主要是由于其有限的潜热容量和狭窄的工作温度范围。本研究开发了一种CA-DE/SiO2复合纳米相变流体。它是通过将20 wt%癸酸(CA) -十二烷（DE）以1:1的质量比与0.5 wt%二氧化硅（SiO2）纳米颗粒组成的二元相变材料集成而成的。该流体的潜热为34.39 kJ/kg，导热系数为0.4783 W/(m·K)，相变温度为20.9℃和41.7℃，热循环次数超过50次，热性能稳定。然后，将CA-DE/SiO2复合纳米相变流体加入到PV/T系统中，以验证其相对于水冷却系统的性能增强。实验结果表明，CA-DE /SiO2纳米流体的日平均电、热和总能量输出分别提高了7.85%、55.06%和44.59%。CA-DE/ sio2体系的日平均电效率、热效率和综合效率分别达到13.11%、59.52%和90.57%，比水基体系分别提高7.9%、31.33%和22.23%。

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引用次数: 0

High-cycle-stability co-modulating modified disodium hydrogen phosphate dodecahydrate/coal gasification slag composite phase change materials in high-efficiency solar thermal conversion and energy storage 高循环稳定性共调制改性十二水磷酸氢二钠/煤气化渣复合相变材料在高效太阳能热转换与储能中的应用

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-10 DOI: 10.1016/j.solmat.2026.114232

Tao Liu , Minghao Fang , Yawen Zhang , Xin Min , Yunpeng Ren

The inorganic hydrated salt disodium hydrogen phosphate dodecahydrate (DHPD) is a promising phase change material (PCM) for large-scale solar energy storage due to its high latent heat, low cost, and operational safety. However, its practical application is hindered by poor cycling stability and weak solar absorption. This study addresses these limitations through a synergistic strategy involving porous coal gasification slag (CGS) and sodium silicate nonahydrate (SMN). CGS, a solid waste from industrial processes, was utilized as a porous matrix to encapsulate DHPD, effectively reducing leakage and enhancing cycling stability. Notably, the resulting composite phase change material (CPCM) exhibits lower latent heat degradation than traditional primary encapsulation, while maintaining a simpler preparation process than multi-level encapsulation techniques. Additionally, a Ti₂O₃ semiconductor photothermal agent was incorporated via mechanochemistry to enhance light absorption. The optimized CPCM demonstrates excellent performance: a low supercooling degree (0.37 °C), high latent heat (170.8 J/g), 75.2% loading capacity, high mechanical strength (66.79 MPa), and enhanced thermal conductivity (0.8434 W/(m·K)). It features a suitable phase change temperature (48.7 °C) and a photothermal conversion efficiency of 83.76%. After 100 cycles, the latent heat degradation is only 2%, demonstrating outstanding cycling stability and significant economic potential for solar energy applications.

无机水合盐磷酸氢十二水二钠（DHPD）具有潜热高、成本低、操作安全等优点，是一种很有前景的大规模太阳能储能相变材料。然而，它的实际应用受到循环稳定性差和太阳能吸收弱的阻碍。本研究通过涉及多孔煤气化渣（CGS）和水玻璃钠（SMN）的协同策略解决了这些局限性。利用工业过程中产生的固体废弃物CGS作为多孔基质包封DHPD，有效减少泄漏，提高循环稳定性。值得注意的是，所得到的复合相变材料（CPCM）比传统的一次包封具有更低的潜热降解，同时保持了比多级包封技术更简单的制备过程。此外，通过机械化学加入Ti2O3半导体光热剂来增强光吸收。优化后的CPCM具有过冷度低（0.37℃）、潜热高（170.8 J/g）、承载能力75.2%、机械强度高（66.79 MPa）、导热系数提高（0.8434 W/(m·K)）等优良性能。它具有合适的相变温度（48.7℃）和83.76%的光热转换效率。经过100次循环后，潜热降解率仅为2%，显示出出色的循环稳定性和巨大的太阳能应用经济潜力。

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引用次数: 0

Ni/Cu interface optimization via low-temperature dark annealing for enhancing open-circuit voltage and efficiency of mass-produced electroplated electrode TOPCon solar cells 通过低温暗退火优化镍/铜界面以提高大规模生产的电镀电极TOPCon太阳能电池的开路电压和效率

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-02 DOI: 10.1016/j.solmat.2026.114197

Yuhan Li , Xi Xi , Jianbo Shao , Jingyun Zhang , Meixian Huang , Zhipeng Liu , Yusen Qin , Song Zhang , Jingjia Ji

Electroplated copper electrode technology demonstrates broad application prospects in photovoltaic manufacturing due to its low cost, excellent conductivity, and simplified process. In tunnel oxide passivated contact (TOPCon) solar cells, electroplated copper electrodes are considered a viable alternative to traditional silver electrodes. However, practical applications indicate that copper-plated electrodes significantly improve the fill factor of the device, while the increase in open-circuit voltage and short-circuit current fall short of expectations, resulting in limited improvements in power conversion efficiency. Therefore, enhancing the open-circuit voltage of electroplated copper electrodes in TOPCon cells has become a key research focus. This paper proposes a low-temperature dark annealing post-processing method, aiming to improve the adhesion and contact performance of the Ni/Cu interface, reduce the recombination current density (J₀), and thereby help restore the open-circuit voltage of the device. This method promotes beneficial atomic inter-diffusion at the Ni/Cu electrode interface through low-temperature thermal treatment of the TOPCon cell, significantly improving the contact quality and electrical performance. Through optimization, the low-temperature dark annealing technique maximally reduces the contact resistivity (ρ_c) of electroplated Ni/Cu electrodes in TOPCon cells by approximately 2.7 mΩ cm², thereby improving the power conversion efficiency by 1.02 %_abs. This study not only validates the effectiveness of low-temperature dark annealing in improving electrode contact interface, but also provides a simple and process-compatible technical approach to further enhance the open-circuit voltage and short-circuit current of TOPCon cells, thus providing valuable insights for advancing the application of electroplated copper electrodes in efficient photovoltaic cells.

电镀铜电极技术具有成本低、导电性好、工艺简单等优点，在光伏制造中具有广阔的应用前景。在隧道氧化钝化接触（TOPCon）太阳能电池中，电镀铜电极被认为是传统银电极的可行替代品。然而，实际应用表明，镀铜电极显著提高了器件的填充系数，而开路电压和短路电流的增加没有达到预期，导致功率转换效率的提高有限。因此，提高TOPCon电池中镀铜电极的开路电压成为研究的重点。本文提出了一种低温暗退火后处理方法，旨在提高Ni/Cu界面的粘附和接触性能，降低复合电流密度（J0），从而有助于恢复器件的开路电压。该方法通过对TOPCon电池进行低温热处理，促进了Ni/Cu电极界面上有利的原子间扩散，显著提高了接触质量和电性能。通过优化，低温暗退火技术最大限度地降低了TOPCon电池中电镀Ni/Cu电极的接触电阻率（ρc）约2.7 mΩ cm2，从而提高了1.02% abs的功率转换效率。本研究不仅验证了低温暗退火在改善电极接触界面方面的有效性，而且为进一步提高TOPCon电池的开路电压和短路电流提供了一种简单且工艺兼容的技术途径，从而为推进电镀铜电极在高效光伏电池中的应用提供了有价值的见解。

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引用次数: 0

Hierarchically structured and thermally robust perovskite solar cells with band-engineered double-hole layers 分层结构和热坚固的钙钛矿太阳能电池带工程双孔层

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-01-31 DOI: 10.1016/j.solmat.2026.114201

Md. Faiaad Rahman, Arpan Sur, Ahmed Zubair

Despite the promising optoelectronic properties of methylammonium lead iodide (MAPbI₃)-based perovskite solar cells (PSCs), their commercial viability is hindered by interfacial energy misalignment, suboptimal light absorption, and thermal instability. Here, we present a comprehensive theoretical framework to enhance the power conversion efficiency (PCE) of MAPbI₃ based PSC through integrated electronic and morphological engineering. Firstly, to address interfacial recombination and inefficient hole extraction at the perovskite/HTL junction, we introduced a double hole transport layer (HTL) stack comprising CuO and I₂O₅-doped Spiro-OMeTAD, which significantly improved energy level alignment and carrier selectivity. Comprehensive multiphysics simulations, combining finite-difference time-domain (FDTD) optical analysis with finite element method (FEM) based electrical and thermal modeling, demonstrated that optimized doping concentrations and thickness parameters within the CuO/Spiro-OMeTAD hole transport layers can enhance the PCE to 22.78%. However, planar architectures, while offering ease of fabrication and scalability, exhibit weak near-UV and near-infrared absorption, whereas nanostructures attain superior light trapping but incur significant fabrication complexity, underscoring the need for balanced design strategies. To address these inherent limitations, we propose a hierarchical ellipsoidal patterned solar cell (HEPSC), wherein a top-layer ellipsoidal nanostructure is introduced across the full device stack. This design enhances broadband light trapping and optical confinement throughout the active layers while maintaining fabrication feasibility through geometrically realistic structuring. The optimized HEPSC achieved a maximum PCE of 26.39%, with short-circuit current density, open-circuit voltage, and fill factor reaching 29.29 mA/cm², 1.074 V, and 83.87%, respectively, under isothermal steady-state conditions. Finally, to assess the thermalization effect in the proposed design, a coupled opto-electro-thermal simulation reveals that the HEPSC retains 94.5% of its efficiency under non-isothermal conditions (up to 52 °C). Collectively, these strategies provide an integrated pathway for designing efficient, morphologically optimized, and thermally resilient next-generation thin-film PSCs.

尽管基于甲基碘化铅（MAPbI3）的钙钛矿太阳能电池（PSCs）具有很好的光电性能，但其商业可行性受到界面能量失调、次优光吸收和热不稳定性的阻碍。在此，我们提出了一个综合的理论框架，通过集成电子和形态学工程来提高基于MAPbI3的PSC的功率转换效率（PCE）。首先，为了解决钙钛矿/HTL结的界面重组和低效空穴提取问题，我们引入了由CuO和i2o5掺杂的Spiro-OMeTAD组成的双空穴传输层（HTL）堆栈，该堆栈显著提高了能级对准和载流子选择性。综合多物理场模拟，结合时域有限差分（FDTD）光学分析和基于有限元法（FEM）的电学和热学建模，表明优化CuO/Spiro-OMeTAD空穴传输层的掺杂浓度和厚度参数可以将PCE提高到22.78%。然而，平面结构虽然易于制造和可扩展性，但表现出较弱的近紫外和近红外吸收，而纳米结构具有优越的光捕获能力，但会产生显着的制造复杂性，强调平衡设计策略的必要性。为了解决这些固有的限制，我们提出了一种分层椭球形图案太阳能电池（HEPSC），其中在整个器件堆栈中引入顶层椭球形纳米结构。该设计增强了整个有源层的宽带光捕获和光约束，同时通过几何逼真的结构保持了制造的可行性。优化后的HEPSC在等温稳态条件下的最大PCE为26.39%，短路电流密度、开路电压和填充因子分别达到29.29 mA/cm2、1.074 V和83.87%。最后，为了评估所提出设计中的热化效果，光电耦合模拟表明，HEPSC在非等温条件下（高达52°C）保持了94.5%的效率。总的来说，这些策略为设计高效、形态优化和热弹性的下一代薄膜psc提供了一条综合途径。

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引用次数: 0

Furan and thiophene-based heterocyclic π-extended polyviologens for electrochromic device 电致变色器件中呋喃和噻吩基杂环π扩展多致癌物

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-01-21 DOI: 10.1016/j.solmat.2026.114172

Xian-Xiu Zhu , Gaurav Kumar Silori , Kuo-Chuan Ho

This study explores the electrochemical and electrochromic performance of heterocyclic π-extended viologens as monomers for developing polyviologen-based electrochromic devices (ECDs). The π-extended viologens, containing thiophene- and furan-based bridging, which are electron-rich and highly responsive, were introduced as monomers to synthesize polyviologen derivatives (denoted as poly(2,5-di(pyridine-4-yl)benzene), PDPB; poly(2,5-di(pyridine-4-yl)thiophene), PDPT; and poly(2,5-di(pyridine-4-yl)furan), PDPF). The π-extended polyviologens were synthesized and incorporated into gel-based ECDs to enhance stability by reducing dimerization and lowering the coloration driving voltage. By investigating the reaction mechanism of polyviologen in gel-based ECDs through the use of co-solvents, the research further optimized their electrochromic performance. The focus was on the impact of co-solvents and the optimization of utilized polymer (PVdF-HFP) content to improve ECD's stability, transmittance change (ΔT), and response time. Among the three synthesized polyviologens, PDPF-based ECD demonstrated superior electrochromic properties with a ΔT of 73.2 % and fast coloration (t_c) and bleaching (t_b) time of 2.2 and 1.9 s respectively. The PDPF-based ECD also showed excellent long-term stability, retaining 94.3 % of its initial ΔT over 20,000 cycles. Notably, strong absorbance in the NIR region, attributed to the π-extended system, indicates potential applications in heat shielding technologies. The results of this study highlight the significance of polymer structure, co-solvents, and optimal PVdF-HFP content in enhancing polyviologen-based ECD performance, particularly in minimizing dimerization and improving stability.

本研究探讨了杂环π扩展紫原作为单体的电化学和电致变色性能，用于开发多紫原基电致变色器件（ECDs）。以含噻吩和呋喃桥接的富电子、高反应性的π扩展型紫外光原为单体，合成了多紫外光衍生物(表示为聚（2,5-二（吡啶-4-基）苯）PDPB；聚(2,5-di (pyridine-4-yl)噻吩),人民;和聚（2,5-二（吡啶-4-基）呋喃），PDPF)。合成了π扩展多紫原并将其掺入凝胶基ECDs中，通过减少二聚化和降低显色驱动电压来提高稳定性。通过使用共溶剂考察聚紫素在凝胶基ECDs中的反应机理，进一步优化其电致变色性能。重点研究了助溶剂和优化聚合物（PVdF-HFP）含量对ECD稳定性、透光率变化（ΔT）和响应时间的影响。在三种合成的多紫原中，pdpf基ECD表现出优异的电致变色性能，ΔT为73.2%，快速显色（tc）和漂白（tb）时间分别为2.2 s和1.9 s。基于pdpf的ECD也表现出出色的长期稳定性，在20,000次循环中保持了94.3%的初始ΔT。值得注意的是，π-扩展体系在近红外区的强吸光度表明其在热屏蔽技术中的潜在应用。本研究的结果强调了聚合物结构、共溶剂和最佳PVdF-HFP含量对提高基于多紫原的ECD性能的重要性，特别是在减少二聚化和提高稳定性方面。

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引用次数: 0

Promoting Carrier Extraction in Perovskite Solar Cells through Simultaneous Management of the SnO2 Surface-protonation and Perovskite Film Regulation 通过同时管理SnO2表面质子化和钙钛矿薄膜调控来促进钙钛矿太阳能电池中的载流子萃取

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2026-06-01 Epub Date: 2026-02-10 DOI: 10.1016/j.solmat.2026.114230

Shahbaz Ahmed Khan , Ming Wang , Wajid Ali , Amjad Ali , Hechao Zou , Xikang Li , Baifeng Huang , Waseem Akram , Zhengbiao Ouyang , Guijun Li

In high-performance perovskite solar cells, tin oxide (SnO₂) has been successfully developed as the electron transport layer in either p-i-n or n-i-p architecture. However, the commercially available nanoparticles suffer from inferior electron extraction due to poor bulk conductivity and defective interface. Here, we investigate the use of a pyridine derivative to modulate the electron extraction ability of SnO₂ in a n-i-p perovskite solar cell. We introduce a single-molecule multifunctional agent (pyridine hydrochloride) that simultaneously. (i) The introduction of pyridine hydrochloride enlarges the zeta potential of the SnO₂ dispersion towards a stable system to prevent particle aggregation and also provides the channel for electron transport between SnO₂ nanoparticles. Modifies SnO₂ surface electronegativity via N→Sn coordination, enabling long-range electron transport pathways. (ii) In addition, it promotes hydrogen bonding between the positively charged C₅H₅NH ⁺ moiety and iodide ions (I⁻) in PbI₂, and supplies chloride for perovskite crystallization, thereby optimizing the nucleation and crystallization process. Regulates perovskite crystallization through C₅H₅NH⁺⋯I⁻ hydrogen bonding and Cl⁻ lattice incorporation. These advancements foster superior charge extraction and improve perovskite crystallization in thick devices. Consequently, the PCE of perovskite solar cells is improved from 22.27% to 24.37%, mostly coming from the enhancement of spectral response in wavelength from 350 nm to 800 nm. Additionally, Perovskite solar cells that integrate pyridine hydrochloride-doped SnO₂ demonstrate exceptional longer-term stability, sustaining over 89.98% of their original efficiency over a period of 720 h in ambient atmospheric conditions.

在高性能钙钛矿太阳能电池中，氧化锡（SnO2）已成功地发展成为p-i-n或n-i-p结构的电子传输层。然而，由于体积导电性差和界面缺陷，商用纳米颗粒的电子萃取性能较差。在这里，我们研究了使用吡啶衍生物来调节n-i-p钙钛矿太阳能电池中SnO2的电子萃取能力。介绍了一种单分子多功能药剂——盐酸吡啶。(1)盐酸吡啶的引入扩大了SnO2向稳定体系分散的zeta电位，防止了SnO2颗粒聚集，也为SnO2纳米颗粒之间的电子传递提供了通道。通过N→Sn配位修饰SnO2表面电负性，实现远程电子传递途径。（ii）促进PbI2中带正电的c5h5nhh +部分与碘离子（I−）之间的氢键，为钙钛矿结晶提供氯离子，从而优化成核结晶过程。通过C5H5NH+⋯I−氢键和Cl−晶格结合调节钙钛矿结晶。这些进步促进了卓越的电荷提取，并改善了厚器件中的钙钛矿结晶。因此，钙钛矿太阳能电池的PCE从22.27%提高到24.37%，主要来自于350 nm到800 nm波长的光谱响应增强。此外，集成了盐酸吡啶掺杂SnO2的钙钛矿太阳能电池表现出优异的长期稳定性，在环境大气条件下，在720小时内保持其原始效率的89.98%以上。

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引用次数: 0