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Keywords = inverted solar cell

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14 pages, 28602 KB  
Article
Enhanced Performance of Inverted Perovskite Solar Cells Employing NiOx and Cu-Doped NiOx Nanoparticle Hole Transport Layers
by Ponmudi Selvan Thiruchelvan, Chien-Chih Lai and Chih-Hung Tsai
Appl. Sci. 2025, 15(21), 11449; https://doi.org/10.3390/app152111449 - 27 Oct 2025
Viewed by 278
Abstract
In this study, p-type NiOx and Cu-doped NiOx nanoparticles (NPs) were synthesized by a simple chemical precipitation method and used as hole transport layers (HTLs) for inverted perovskite solar cells (PSCs). The microstructural property, surface morphology, elemental composition, optical property, charge [...] Read more.
In this study, p-type NiOx and Cu-doped NiOx nanoparticles (NPs) were synthesized by a simple chemical precipitation method and used as hole transport layers (HTLs) for inverted perovskite solar cells (PSCs). The microstructural property, surface morphology, elemental composition, optical property, charge recombination, and surface topography of the NiOx and Cu-NiOx HTLs were comprehensively characterized. The results showed that the NiOx and Cu-NiOx NPs were uniformly coated on the substrates without pinholes or voids. Cu incorporation into NiOx did not change its crystalline nature and considerably improved its electrical conductivity. The Cu-NiOx HTLs exhibited superior photoluminescence quenching and the least lifetime decay, which indicated that Cu-NiOx exhibited higher charge transport than NiOx HTLs. The fabricated PSC performances were further analyzed using current density–voltage characteristics, external quantum efficiency, and electrochemical impedance spectroscopy. The PSCs with PEDOT:PSS, NiOx, and 2% Cu-NiOx HTLs exhibited power conversion efficiencies of 11.93%, 13.72%, and 15.54%, respectively. The 2% Cu-NiOx HTL-based device showed the best performance compared with the PEDOT:PSS- and NiOx-based devices. Academic Editors: Chunyang Zhang, Dou Zhang Full article
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26 pages, 6533 KB  
Article
MPC Design and Comparative Analysis of Single-Phase 7-Level PUC and 9-Level CSC Inverters for Grid Integration of PV Panels
by Raghda Hariri, Fadia Sebaaly, Kamal Al-Haddad and Hadi Y. Kanaan
Energies 2025, 18(19), 5116; https://doi.org/10.3390/en18195116 - 26 Sep 2025
Viewed by 1048
Abstract
In this study, a novel comparison between single phase 7-Level Packed U—Cell (PUC) inverter and single phase 9-Level Cross Switches Cell (CSC) inverter with Model Predictive Controller (MPC) for solar grid-tied applications is presented. Our innovation introduces a unique approach by integrating PV [...] Read more.
In this study, a novel comparison between single phase 7-Level Packed U—Cell (PUC) inverter and single phase 9-Level Cross Switches Cell (CSC) inverter with Model Predictive Controller (MPC) for solar grid-tied applications is presented. Our innovation introduces a unique approach by integrating PV solar panels in PUC and CSC inverters in their two DC links rather than just one which increases power density of the system. Another key benefit for the proposed models lies in their simplified design, offering improved power quality and reduced complexity relative to traditional configurations. Moreover, both models feature streamlined control architectures that eliminate the need for additional controllers such as PI controllers for grid reference current extraction. Furthermore, the implementation of Maximum Power Point Tracking (MPPT) technology directly optimizes power output from the PV panels, negating the necessity for a DC-DC booster converter during integration. To validate the proposed concept’s performance for both inverters, extensive simulations were conducted using MATLAB/Simulink, assessing both inverters under steady-state conditions as well as various disturbances to evaluate its robustness and dynamic response. Both inverters exhibit robustness against variations in grid voltage, phase shift, and irradiation. By comparing both inverters, results demonstrate that the CSC inverter exhibits superior performance due to its booster feature which relies on generating voltage level greater than the DC input source. This primary advantage makes CSC a booster inverter. Full article
(This article belongs to the Section F3: Power Electronics)
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13 pages, 3355 KB  
Article
Buried SWCNTs Interlayer Promotes Hole Extraction and Stability in Inverted CsPbI2.85Br0.15 Perovskite Solar Cells
by Fangtao Yu, Dandan Chen, He Xi, Wenming Chai, Yuhao Yan, Weidong Zhu, Dazheng Chen, Long Zhou, Yimin Lei and Chunfu Zhang
Molecules 2025, 30(17), 3535; https://doi.org/10.3390/molecules30173535 - 29 Aug 2025
Viewed by 736
Abstract
Inverted (p-i-n) CsPbIxBr3−x (x = 0~3) perovskite solar cells (PSCs) are of growing interest due to their excellent thermal stability and optoelectronic performance. However, they suffer from severe energy level mismatch and significant interfacial energy losses at the bottom hole [...] Read more.
Inverted (p-i-n) CsPbIxBr3−x (x = 0~3) perovskite solar cells (PSCs) are of growing interest due to their excellent thermal stability and optoelectronic performance. However, they suffer from severe energy level mismatch and significant interfacial energy losses at the bottom hole transport layers (HTLs). Herein, we propose a strategy to simultaneously enhance the crystallinity of CsPbI2.85Br0.15 and facilitate hole extraction at the HTL/CsPbI2.85Br0.15 interface by incorporating semiconducting single-walled carbon nanotubes (SWCNTs) onto [2-(3,6-dimethoxy-9H-carbazol-9-yl)ethyl] phosphonic acid (MeO-2PACz) HTL. The unique electrical properties of SWCNTs enable the MeO-2PACz/SWCNT HTL to achieve high conductivity, optimal energy level alignment, and an adaptable surface. Consequently, the defect density is reduced, hole extraction is accelerated, and interfacial charge recombination is effectively suppressed. As a result, these synergistic benefits boost the power conversion efficiency (PCE) from 15.74% to 18.78%. Moreover, unencapsulated devices retained 92.35% of their initial PCE after 150 h of storage in ambient air and 89.03% after accelerated aging at 85 °C for 10 h. These findings highlight the strong potential of SWCNTs as an effective interlayer for inverted CsPbI2.85Br0.15 PSCs and provide a promising strategy for designing high-performance HTLs by integrating SWCNTs with self-assembled monolayers (SAMs). Full article
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13 pages, 1891 KB  
Article
Defect-Targeted Repair for Efficient and Stable Perovskite Solar Cells Using 2-Chlorocinnamic Acid
by Zhichun Yang, Mengyu Li, Jinyan Chen, Waqar Ahmad, Guofeng Zhang, Chengbing Qin, Liantuan Xiao and Suotang Jia
Nanomaterials 2025, 15(16), 1229; https://doi.org/10.3390/nano15161229 - 12 Aug 2025
Viewed by 904
Abstract
Metal halide perovskites have appeared as a promising semiconductor for high-efficiency and low-cost photovoltaic technologies. However, their performance and long-term stability are dramatically constrained by defects at the surface and grain boundaries of polycrystalline perovskite films formed during the processing. Herein, we propose [...] Read more.
Metal halide perovskites have appeared as a promising semiconductor for high-efficiency and low-cost photovoltaic technologies. However, their performance and long-term stability are dramatically constrained by defects at the surface and grain boundaries of polycrystalline perovskite films formed during the processing. Herein, we propose a defect-targeted passivation strategy using 2-chlorocinnamic acid (2-Cl) to simultaneously enhance the efficiency and stability of perovskite solar cells (PSCs). The crystallization kinetics, film morphology, and optical and electronic properties of the used formamidinium–cesium lead halide (FA0.85Cs0.15Pb(I0.95Br0.05)3, FACs) absorber were modulated and systematically investigated by various characterizations. Mechanistically, the carbonyl group in 2-Cl coordinates with undercoordinated Pb2+ ions, while the chlorine atom forms Pb–Cl bonds, effectively passivating the surface and interfacial defects. The optimized FACs perovskite film was incorporated into inverted (p-i-n) PSCs with a typical architecture of ITO/NiOx/PTAA/Al2O3/FACs/PEAI/PCBM/BCP/Ag. The optimal device delivers a champion power conversion efficiency (PCE) of 22.58% with an open-circuit voltage of 1.14 V and a fill factor of 82.8%. Furthermore, the unencapsulated devices retain 90% of their initial efficiency after storage in ambient air for 30 days and 83% of their original PCE after stress under 1 sun illumination with maximum power point tracking at 50 °C in a N2 environment, demonstrating the practical potential of dual-site molecular passivation for durable perovskite photovoltaics. Full article
(This article belongs to the Section Solar Energy and Solar Cells)
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10 pages, 2014 KB  
Article
A Study on the Morphology of Poly(Triaryl Amine)-Based Hole Transport Layer via Solvent Optimization for High-Performance Inverted Perovskite Solar Cells
by Xiaoyin Xie, Xi Liu, Chufei Ding, Han Yang, Xueyi Liu, Guanchen Liu, Zhihai Liu and Eun-Cheol Lee
Inorganics 2025, 13(7), 232; https://doi.org/10.3390/inorganics13070232 - 9 Jul 2025
Viewed by 796
Abstract
Poly[bis(4-phenyl) (2,5,6-trimethylphenyl) amine (PTAA), as a hole transfer material, has been widely used in perovskite solar cells (PSCs). However, the optimal solvent for preparing the PTAA solution and coating the PTAA layer is still uncertain. In this work, we investigated three types of [...] Read more.
Poly[bis(4-phenyl) (2,5,6-trimethylphenyl) amine (PTAA), as a hole transfer material, has been widely used in perovskite solar cells (PSCs). However, the optimal solvent for preparing the PTAA solution and coating the PTAA layer is still uncertain. In this work, we investigated three types of organic solvents (toluene, chlorobenzene and dichlorobenzene) for processing PTAA layers as the hole transport layer in PSCs. Based on the experimental verification and molecular dynamics simulation results, all the evidence indicated that toluene performs best among the three candidates. This is attributed to the significant polarity difference between toluene and PTAA, which leads to the formation of a uniform surface morphology characterized by granular protuberances after spin coating. The contact area of the hole transfer layer with the surface aggregation is increased in reference to the rough surface, and the hydrophilicity of the PTAA layer is also increased. The improvement of these two aspects are conducive to the effective interfacial charge transfer. This leads to the generation of more photocurrent. The PSCs employing toluene-processed PTAA exhibit an average power conversion efficiency (PCE) of 19.1%, which is higher than that of PSCs using chlorobenzene- and dichlorobenzene-processed PTAA (17.3–17.9%). This work provides a direct optimization strategy for researchers aiming to fabricate PSCs based on PTAA as a hole transport layer and lays a solid foundation for the development of high-efficiency inverted PSCs. Full article
(This article belongs to the Special Issue Optical and Quantum Electronics: Physics and Materials)
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25 pages, 4188 KB  
Article
Enhanced Charge Transport in Inverted Perovskite Solar Cells via Electrodeposited La-Modified NiOx Layers
by Lina Aristizábal-Duarte, Martín González-Hernández, Sergio E. Reyes, J. A. Ramírez-Rincón, Pablo Ortiz and María T. Cortés
Energies 2025, 18(14), 3590; https://doi.org/10.3390/en18143590 - 8 Jul 2025
Cited by 1 | Viewed by 855
Abstract
This work explored an electrochemical approach for synthesizing lanthanum-modified nickel oxide (NiOx:La) as a hole transport layer (HTL) in inverted perovskite solar cells (IPSCs). By varying the La3+ concentration, the chemical, charge transport, structural, and morphological properties of the NiO [...] Read more.
This work explored an electrochemical approach for synthesizing lanthanum-modified nickel oxide (NiOx:La) as a hole transport layer (HTL) in inverted perovskite solar cells (IPSCs). By varying the La3+ concentration, the chemical, charge transport, structural, and morphological properties of the NiOx:La film and the HTL/PVK interface were evaluated to enhance photovoltaic performance. X-ray photoelectron spectroscopy (XPS) confirmed La3+ incorporation, a higher Ni3+/Ni3+ ratio, and a valence band shift, improving p-type conductivity. Electrochemical impedance spectroscopy and Mott–Schottky analyses indicated that NiOx:La 0.5% exhibited the lowest resistance and the highest carrier density, correlating with higher recombination resistance. The NiOx:La 0.5% based cell achieved a PCE of 20.08%. XRD and SEM confirmed no significant changes in PVK structure, while photoluminescence extinction demonstrated improved charge extraction. After 50 days, this cell retained 80% of its initial PCE, whereas a pristine NiOx device retained 75%. Hyperspectral imaging revealed lower optical absorption loss and better homogeneity. These results highlight NiOx:La as a promising HTL for efficient and stable IPSCs. Full article
(This article belongs to the Section A2: Solar Energy and Photovoltaic Systems)
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15 pages, 2226 KB  
Article
Perovskite Solar Cells Modified with Conjugated Self-Assembled Monolayers at Buried Interfaces
by Guorong Zhou, Faeze Hashemi, Changzeng Ding, Xin Luo, Lianping Zhang, Esmaeil Sheibani, Qun Luo, Askhat N. Jumabekov, Ronald Österbacka, Bo Xu and Changqi Ma
Nanomaterials 2025, 15(13), 1014; https://doi.org/10.3390/nano15131014 - 1 Jul 2025
Viewed by 2127
Abstract
In recent years, inverted perovskite solar cells (PSCs) have garnered widespread attention due to their high compatibility, excellent stability, and potential for low-temperature manufacturing. However, most of the current research has primarily focused on the surface passivation of perovskite. In contrast, the buried [...] Read more.
In recent years, inverted perovskite solar cells (PSCs) have garnered widespread attention due to their high compatibility, excellent stability, and potential for low-temperature manufacturing. However, most of the current research has primarily focused on the surface passivation of perovskite. In contrast, the buried interface significantly influences the crystal growth quality of perovskite, but it is difficult to effectively control, leading to relatively slow research progress. To address the issue of poor interfacial contact between the hole transport-layer nickel oxide (NiOX) and the perovskite, we introduced a conjugated self-assembled monolayer (SAM), 4,4′-[(4-(3,6-dimethoxy-9H-carbazole)triphenylamine)]diphenylacetic acid (XS21), which features triphenylamine dicarboxylate groups. For comparison, we also employed the widely studied phosphonic acid-based SAM, [2-(3,6-dimethoxy-9H-carbazole-9-yl)ethyl] phosphonic acid (MeO-2PACz). A systematic investigation was carried out to evaluate the influence of these SAMs on the performance and stability of inverted PSCs. The results show that both XS21 and MeO-2PACz significantly enhanced the crystallinity of the perovskite layer, reduced defect densities, and suppressed non-radiative recombination. These improvements led to more efficient hole extraction and transport at the buried interface. Consequently, inverted PSCs incorporating XS21 and MeO-2PACz achieved impressive power-conversion efficiencies (PCEs) of 21.43% and 22.43%, respectively, along with marked enhancements in operational stability. Full article
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10 pages, 2024 KB  
Article
Bifunctional 4,5-Diiodoimidazole Interfacial Engineering Enables Simultaneous Defect Passivation and Crystallization Control for High-Efficiency Inverted Perovskite Solar Cells
by Huaxi Gao, Yu Zhang, Ihtesham Ghani, Min Xin, Danish Khan, Junyu Wang, Di Lu, Tao Cao, Wei Chen, Xin Yang and Zeguo Tang
Nanomaterials 2025, 15(10), 766; https://doi.org/10.3390/nano15100766 - 20 May 2025
Viewed by 780
Abstract
Despite the rapid efficiency advancement of perovskite solar cells (PSCs), non-radiative recombination at the buried interface between self-assembled monolayers (SAMs) and perovskite remains a critical bottleneck, primarily due to interfacial defects and energy level mismatch. In this study, we demonstrate a bifunctional interlayer [...] Read more.
Despite the rapid efficiency advancement of perovskite solar cells (PSCs), non-radiative recombination at the buried interface between self-assembled monolayers (SAMs) and perovskite remains a critical bottleneck, primarily due to interfacial defects and energy level mismatch. In this study, we demonstrate a bifunctional interlayer engineering strategy by introducing 4,5-diiodoimidazole (4,5-Di-I) at the Me-4PACz/perovskite interface. This approach uniquely addresses two fundamental limitations of SAM-based interfaces: the insufficient defect passivation capability of conventional Me-4PACz due to steric hindrance effects and the poor perovskite wettability on hydrophobic SAM surfaces that exacerbates interfacial voids. The imidazole derivatives not only form strong Pb–N coordination bonds with undercoordinated Pb2+ but also modulate the surface energy of Me-4PACz, enabling the growth of pinhole-free perovskite films with preferential crystal orientation. The champion device with 4,5-Di-I modification achieves a power conversion efficiency (PCE) of 24.10%, with a VOC enhancement from 1.12 V to 1.14 V, while maintaining 91% of initial PCE after 1300 h in N₂ atmosphere (25 °C), demonstrating superior stability under ISOS-L-2 protocols. This work establishes a universal strategy for interfacial multifunctionality design, proving that simultaneous defect suppression and crystallization control can break the long-standing trade-off between efficiency and stability in solution-processed photovoltaics. Full article
(This article belongs to the Special Issue Advanced Nanoscale Materials and (Flexible) Devices)
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45 pages, 11703 KB  
Review
A Comprehensive Review of Self-Assembled Monolayers as Hole-Transport Layers in Inverted Perovskite Solar Cells
by Yuchen Yuan, Houlin Li, Haiqiang Luo, Yang Zhang, Xiaoli Li, Ting Jiang, Yajie Yang, Lei Liu, Baoyan Fan and Xia Hao
Energies 2025, 18(10), 2577; https://doi.org/10.3390/en18102577 - 16 May 2025
Cited by 3 | Viewed by 5671
Abstract
The hole-transport layer (HTL) plays a pivotal role in engineering high-performance inverted perovskite solar cells (PSCs), as it governs both hole extraction/transport dynamics and critically impacts the crystallization quality of the perovskite absorber layer in device architectures. Recent advancements have highlighted self-assembled monolayers [...] Read more.
The hole-transport layer (HTL) plays a pivotal role in engineering high-performance inverted perovskite solar cells (PSCs), as it governs both hole extraction/transport dynamics and critically impacts the crystallization quality of the perovskite absorber layer in device architectures. Recent advancements have highlighted self-assembled monolayers (SAMs) as promising candidates for next-generation HTL materials in inverted PSCs due to their intrinsic advantages over conventional counterparts. These molecularly engineered interfaces demonstrate superior characteristics including simplified purification processes, tunable molecular structures, and enhanced interfacial compatibility with device substrates. This review systematically examines the progress, existing challenges, and future prospects of SAM-based HTLs in inverted photovoltaic systems, aiming to establish a systematic framework for understanding their structure–property relationships. The review is organized into three sections: (1) fundamental architecture of inverted PSCs, (2) molecular design principles of SAMs with emphasis on head-group functionality, and (3) recent breakthroughs in SAM-engineered HTLs and their modification strategies for HTL optimization. Through critical analysis of performance benchmarks and interfacial engineering approaches, we elucidate both the technological merits and inherent limitations of SAM implementation in photovoltaic devices. Furthermore, we propose strategic directions for advancing SAM-based HTL development, focusing on molecular customization and interfacial engineering to achieve device efficiency and stability targets. This comprehensive work aims to establish a knowledge platform for accelerating the rational design of SAM-modified interfaces in next-generation optoelectronic devices. Full article
(This article belongs to the Collection Review Papers in Solar Energy and Photovoltaic Systems)
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24 pages, 10859 KB  
Article
Fuzzy-Based Current-Controlled Voltage Source Inverter for Improved Power Quality in Photovoltaic and Fuel Cell Integrated Sustainable Hybrid Microgrids
by Yellapragada Venkata Pavan Kumar, Sivakavi Naga Venkata Bramareswara Rao and Darsy John Pradeep
Sustainability 2025, 17(10), 4520; https://doi.org/10.3390/su17104520 - 15 May 2025
Viewed by 827
Abstract
Due to the complementary operational features, photovoltaic (PV) and fuel cell (FC) systems are increasingly being integrated into hybrid microgrids. PV systems provide clean energy during the day, while FCs provide continuous power supply throughout the day and night; thus, FCs can address [...] Read more.
Due to the complementary operational features, photovoltaic (PV) and fuel cell (FC) systems are increasingly being integrated into hybrid microgrids. PV systems provide clean energy during the day, while FCs provide continuous power supply throughout the day and night; thus, FCs can address PV’s incapacity during the night. However, voltage instability, frequency deviation, and enhanced harmonic distortion can result from the intrinsic intermittency of solar energy, switching errors in power electronic equipment, and varying load demands. Thus, a fuzzy logic-based current-controlled voltage source inverter (CC-VSI) is proposed in this paper to overcome these issues and enhance power quality in PV-FC hybrid microgrids. As per IEEE 1547 regulations, the fuzzy controller dynamically modifies the inverter current to maintain steady voltage and frequency profiles. MATLAB/Simulink (R2022a) is used to model and simulate the system, and its performance is evaluated under various reactive load scenarios. To test the efficacy of the proposed control technique, various power quality metrics, viz., voltage profiles (sag and swell), frequency profile, and total harmonic distortions, are plotted when subjected to large reactive load variations. The simulation results that are obtained with the proposed fuzzy-based current control technique are compared with the conventional artificial neural networks-based controller to verify the effectiveness. From the comparison study, it is found that the proposed technique shows superior power quality performance over the conventional technique. This encourages the development of renewable energy-based sustainable hybrid microgrids worldwide. Full article
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14 pages, 3342 KB  
Article
Controlling Crystallization of Aqueous-Processed Planar Perovskite Films via Sodium Dodecyl Sulfonate Surfactant Modulation
by Na Zheng, Cunyun Xu, Xiaofeng He, Gaobo Xu, Jiancheng You, Zhongjun Dai, Han Jiang, Qianqian Zhang and Qunliang Song
Molecules 2025, 30(10), 2146; https://doi.org/10.3390/molecules30102146 - 13 May 2025
Cited by 1 | Viewed by 638
Abstract
Solution processing represents a widely adopted methodology for perovskite solar cell (PSC) fabrication. Nevertheless, the prevalent use of toxic solvents and anti-solvents in conventional approaches presents significant challenges for PSC commercialization. Water, as an environmentally benign solvent with exceptional Pb(NO3)2 [...] Read more.
Solution processing represents a widely adopted methodology for perovskite solar cell (PSC) fabrication. Nevertheless, the prevalent use of toxic solvents and anti-solvents in conventional approaches presents significant challenges for PSC commercialization. Water, as an environmentally benign solvent with exceptional Pb(NO3)2 solubility, offers a promising alternative for perovskite film preparation. However, the sluggish conversion kinetics of Pb(NO3)2 to perovskite often results in morphological imperfections and incomplete conversion, particularly detrimental to planar inverted PSCs derived from aqueous solutions, which currently exhibit limited power conversion efficiencies (PCE) of approximately 6%. To mitigate the Ostwald ripening effect induced by slow reaction kinetics and enhance the conversion efficiency of deep-layer Pb(NO3)2 and PbI2, this study proposes a strategy of increasing the pore size in porous Pb(NO3)2 structures. Through the incorporation of sodium dodecyl sulfonate (SDS) surfactant into the Pb(NO3)2 precursor solution, we successfully fabricated high-quality perovskite films. Comprehensive characterization revealed that SDS doping effectively modified the surface properties of Pb(NO3)2 films, accelerating their conversion to perovskite. The optimized PSCs based on SDS-modified perovskite films demonstrated improved energy level alignment, enhanced charge carrier extraction, and suppressed non-radiative recombination. Consequently, the PCE of planar inverted aqueous PSCs increased significantly from 12.27% (control devices) to 14.82% following surfactant modification. After being stored in a nitrogen glove box for 800 h, the performance of the device still remained above 90% of its original level. It can still maintain 60% of its original performance after a 100 h heating aging test at 80 degrees. Full article
(This article belongs to the Special Issue Chemistry Innovatives in Perovskite Based Materials)
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13 pages, 7137 KB  
Communication
Co-Doping Effects on the Electronic and Optical Properties of β-Ga2O3: A First-Principles Investigation
by Ya-Rui Wang and Su-Zhen Luan
Materials 2025, 18(9), 2005; https://doi.org/10.3390/ma18092005 - 28 Apr 2025
Cited by 2 | Viewed by 1127
Abstract
To meet the demands for functional layers in inverted flexible perovskite solar cells, high-performance formamidinium-based perovskite solar cells, and high-performance photodetectors in future applications, it is crucial to appropriately reduce the bandgap of third-generation wide-bandgap semiconductor materials. In this study, we first optimized [...] Read more.
To meet the demands for functional layers in inverted flexible perovskite solar cells, high-performance formamidinium-based perovskite solar cells, and high-performance photodetectors in future applications, it is crucial to appropriately reduce the bandgap of third-generation wide-bandgap semiconductor materials. In this study, we first optimized doping sites through Ag-Cl and Ag-S configurations to establish stable substitution patterns, followed by density functional theory (DFT) calculations using the Generalized Gradient Approximation with the Perdew–Burke–Ernzerhof (GGA-PBE) functional, implemented in the Vienna Ab initio Simulation Package (VASP). A plane-wave basis set with a cutoff energy of 450 eV and a 3 × 4 × 3 Γ-centered k-mesh were adopted to investigate the effects of Mg-Cl, Mg-S, Zn-Cl, and Zn-S co-doping on the structural stability, electronic properties, and optical characteristics of β-Ga2O3. Based on structural symmetry, six doping sites were considered, with Ag-S/Cl systems revealing preferential occupation at octahedral Ga(1) sites through site formation energy analysis. The results demonstrate that Mg-Cl, Mg-S, Zn-Cl, and Zn-S co-doped systems exhibit thermodynamic stability. The bandgap of pristine β-Ga2O3 was calculated to be 2.08 eV. Notably, Zn-Cl co-doping achieves the lowest bandgap reduction to 1.81 eV. Importantly, all co-doping configurations, including Mg-Cl, Mg-S, Zn-Cl, and Zn-S, effectively reduce the bandgap of β-Ga2O3. Furthermore, the co-doped systems show enhanced visible light absorption (30% increase at 500 nm) and improved optical storage performance compared to the pristine material. Full article
(This article belongs to the Section Optical and Photonic Materials)
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19 pages, 3821 KB  
Article
Sulfur-Doped ZnO as Cathode Interlayer for Efficient Inverted Organic Solar Cells
by Ermioni Polydorou, Georgios Manginas, Georgios Chatzigiannakis, Zoi Georgiopoulou, Apostolis Verykios, Elias Sakellis, Maria Eleni Rizou, Vassilis Psycharis, Leonidas Palilis, Dimitris Davazoglou, Anastasia Soultati and Maria Vasilopoulou
Materials 2025, 18(8), 1767; https://doi.org/10.3390/ma18081767 - 12 Apr 2025
Cited by 1 | Viewed by 993
Abstract
Bulk heterojunction (BHJ) organic solar cells (OSCs) represent a promising technology due to their cost-effectiveness, lightweight design and potential for flexible manufacturing. However, achieving a high power conversion efficiency (PCE) and long-term stability necessitates optimizing the interfacial layers. Zinc oxide (ZnO), commonly used [...] Read more.
Bulk heterojunction (BHJ) organic solar cells (OSCs) represent a promising technology due to their cost-effectiveness, lightweight design and potential for flexible manufacturing. However, achieving a high power conversion efficiency (PCE) and long-term stability necessitates optimizing the interfacial layers. Zinc oxide (ZnO), commonly used as an electron extraction layer (EEL) in inverted OSCs, suffers from surface defects that hinder device performance. Furthermore, the active control of its optoelectronic properties is highly desirable as the interfacial electron transport and extraction, exciton dissociation and non-radiative recombination are crucial for optimum solar cell operation. In this regard, this study investigates the sulfur doping of ZnO as a facile method to effectively increase ZnO conductivity, improve the interfacial electron transfer and, overall, enhance solar cell performance. ZnO films were sulfur-treated under various annealing temperatures, with the optimal condition found at 250 °C. Devices incorporating sulfur-doped ZnO (S-ZnO) exhibited a significant PCE improvement from 2.11% for the device with the pristine ZnO to 3.14% for the OSC based on the S-ZnO annealed at 250 °C, attributed to an enhanced short-circuit current density (Jsc) and fill factor (FF). Optical and structural analyses revealed that the sulfur treatment led to a small enhancement of the ZnO film crystallite size and an increased n-type transport capability. Additionally, the sulfurization of ZnO enhanced its electron extraction efficiency, exciton dissociation at the ZnO/photoactive layer interface and exciton/charge generation rate without altering the film morphology. These findings highlight the potential of sulfur doping as an easily implemented, straightforward approach to improving the performance of inverted OSCs. Full article
(This article belongs to the Special Issue Recent Advances in Semiconductors for Solar Cell Devices)
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26 pages, 3491 KB  
Project Report
Integrated Design and Construction of a 50 kW Flexible Hybrid Renewable Power Hydrogen System Testbed
by Jonathan G. Love, Michelle Gane, Anthony P. O’Mullane and Ian D. R. Mackinnon
Energy Storage Appl. 2025, 2(2), 5; https://doi.org/10.3390/esa2020005 - 21 Mar 2025
Cited by 1 | Viewed by 1676
Abstract
We report on the first stage of an energy systems integration project to develop hybrid renewable energy generation and storage of hydrogen for subsequent use via research-based low regret system testbeds. This study details the design and construction of a flexible plug-and-play hybrid [...] Read more.
We report on the first stage of an energy systems integration project to develop hybrid renewable energy generation and storage of hydrogen for subsequent use via research-based low regret system testbeds. This study details the design and construction of a flexible plug-and-play hybrid renewable power and hydrogen system testbed with up to 50 kW capacity aimed at addressing and benchmarking the operational parameters of the system as well as key components when commissioned. The system testbed configuration includes three different solar technologies, three different battery technologies, two different electrolyser technologies, hydrogen storage, and a fuel cell for regenerative renewable power. Design constraints include the current limit of an AC microgrid, regulations for grid-connected inverters, power connection inefficiencies, and regulated hazardous area approval. We identify and show the resolution of systems integration challenges encountered during construction that may benefit planning for the emerging pilot, or testbed, configurations at other sites. These testbed systems offer the opportunity for informed decisions on economic viability for commercial-scale industry applications. Full article
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14 pages, 8111 KB  
Article
ALD-Deposited Hydroxyl-Rich NiOx to Enhance SAM Anchoring for Stable and Efficient Perovskite Solar Cells
by Fengming Guo, Xuteng Yu, Yuheng Li, Yong Chen, Chi Li, Chunming Liu and Peng Gao
Molecules 2025, 30(6), 1299; https://doi.org/10.3390/molecules30061299 - 13 Mar 2025
Cited by 2 | Viewed by 2315
Abstract
The interface between nickel oxide (NiOx) and self-assembled monolayers (SAMs) in perovskite solar cells (PSCs) often suffers from limited adsorption strength, poor energy-level alignment, and inadequate defect passivation, which hinder device performance and stability. To address these issues, we introduce a [...] Read more.
The interface between nickel oxide (NiOx) and self-assembled monolayers (SAMs) in perovskite solar cells (PSCs) often suffers from limited adsorption strength, poor energy-level alignment, and inadequate defect passivation, which hinder device performance and stability. To address these issues, we introduce a hybrid hole selective layer (HSL) combining atomic layer deposition (ALD)-fabricated NiOx with full-aromatic SAM molecules, creating a highly stable and efficient interface. ALD NiOx, enriched with hydroxyl groups, provides robust adsorption sites for the SAM molecule MeO-PhPACz, ensuring a strong, stable interaction. This hybrid HSL enhances energy-level alignment, hole selectivity, and defect passivation at the NiOx/perovskite interface. Devices utilizing this approach demonstrate significant performance improvements, achieving a power conversion efficiency (PCE) of 21.74%, with reduced voltage losses and minimal hysteresis. Furthermore, operational stability tests reveal enhanced durability under elevated humidity and temperature conditions. These findings highlight the potential of ALD NiOx and SAM hybrid HSL to overcome existing barriers, advancing the commercial viability of PSC technologies. Full article
(This article belongs to the Special Issue Inorganic Chemistry in Asia)
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