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A computational insight into CuXF3(X = Ba, K) fluoroperovskites for solar cell and optoelectronic applications CuXF3(X = Ba, K)氟钙钛矿在太阳能电池和光电子领域的应用
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-18 DOI: 10.1016/j.solener.2025.114144
Nazia Bibi , Jianing Li , Xiaodi Zhuo , Tong Chai , Sen Yang
Fluoroperovskites are regarded as the most promising candidates to satisfy the demand for optoelectronics and energy conversion devices. Therefore, the physical properties of novel Cu-based CuXF3(X = Ba, K) fluoroperovskites have been explored using density functional theory (DFT) calculations. These calculations indicate that both compounds are cubic within the space group Pm3m. The thermodynamic stability of CuBaF3 and CuKF3 has been confirmed by enthalpy formation calculations, which are −4.69 KeV/atom and −4.45 KeV/atom, respectively. The outcomes of three elastic coefficients, C11, C12, and C44, confirm mechanical stability. Both CuBaF3 and CuKF3 exhibit a ductile nature. The TDOS and PDOS investigations confirm the concentration of electrons in specific bands. Electronic band structures have discovered band gap values that range from 0.77 to 2.96 eV, making them extremely useful for optoelectronic and solar cell industries. Both CuBaF3 and CuKF3 exhibit high absorption coefficients, superior refractive indices, low reflectivity, and minimum electron energy loss. Thermodynamic properties such as compressibility, melting temperature, sound velocity, and Debye temperature are investigated. These combined structural, electronic, optical, mechanical and thermodynamic results show that both compounds are promising applicants for industrial uses, particularly in optoelectronics and solar cell technology. As a result, these findings can inspire further computational and experimental investigations.
氟钙钛矿被认为是满足光电子和能量转换器件需求的最有前途的候选者。因此,利用密度泛函理论(DFT)计算,探索了新型cu基CuXF3(X = Ba, K)氟钙钛矿的物理性质。这些计算表明,这两种化合物在Pm3m空间群内都是立方的。通过焓生成计算,cuaf3和CuKF3的热力学稳定性得到了证实,分别为- 4.69 KeV/原子和- 4.45 KeV/原子。三个弹性系数C11、C12和C44的结果证实了机械稳定性。cuaf3和CuKF3均具有延展性。TDOS和PDOS的研究证实了电子在特定波段的集中。电子能带结构发现的带隙值范围从0.77到2.96 eV,这使得它们在光电和太阳能电池工业中非常有用。cuaf3和CuKF3均具有高的吸收系数、优越的折射率、低的反射率和最小的电子能量损失。热力学性质,如可压缩性,熔化温度,声速和德拜温度进行了研究。这些结合了结构、电子、光学、机械和热力学的结果表明,这两种化合物在工业用途,特别是光电子和太阳能电池技术方面都有很好的应用前景。因此,这些发现可以启发进一步的计算和实验研究。
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引用次数: 0
Numerical analysis of fins and Nano-Enhanced PCM for heat transfer improvement in parabolic trough collectors 抛物槽集热器翅片和纳米增强PCM改善传热的数值分析
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-17 DOI: 10.1016/j.solener.2025.114158
Oveepsa Chakraborty
Traditional parabolic trough collectors (PTC) face boundary-layer resistance and slow phase change material (PCM) response, which limit stability and efficiency. Defeating these challenges is essential to develop dependable solar thermal systems. This investigation explores a novel policy to improve the thermal performance of a LS-2 model. The approach includes advanced nanofluids, uniquely contoured fins, and nano-enhanced PCMs. Three structures are analyzed utilizing paraffin wax with 1 % volume of CuO and Al2O3 nanoparticle combinations. The outermost tube includes a ternary hybrid nanofluid comprised of Al2O3, CuO, and GO nanoparticles spread in water (1 % volume fraction). The systems operates for flow rates of 0.15–0.6  kg/s, with solar irradiation modeled in Tonatiuh 2.2.4 and thermal-flow interactions investigated utilizing ANSYS 23 Fluent. Outcomes reveal thermal efficiency reaching 78.44 % and highest exergy efficiency is 72.54 %. The best configuration merges optimized fins along with 25 % Al2O3–75 % CuO PCM in the inner tube. When coupled with a nanofluid of 60 % CuO, 30 % GO, and 10 % Al2O3 for 1 % concentration in outer tube, the system indicates incredible performance. It attains an 85.63 % decrease in melting time than pure CuO PCM at 0.6 kg/s. These results demonstrate that the mutual integration of ternary hybrid nanofluid, fin geometry, and binary nano-PCM mixtures gives a novel and effective way to improve energy storage and heat transfer.
传统的抛物槽集热器(PTC)面临边界层电阻和相变材料(PCM)响应慢的问题,限制了集热器的稳定性和效率。克服这些挑战对于开发可靠的太阳能热系统至关重要。本研究探索了一种改善LS-2模型热性能的新策略。该方法包括先进的纳米流体、独特的鳍形和纳米增强型pcm。用体积为1%的CuO和Al2O3纳米颗粒组合的石蜡对三种结构进行了分析。最外层的管子包括三元混合纳米流体,由Al2O3、CuO和GO纳米颗粒组成,分布在水中(体积分数为1%)。该系统在0.15-0.6 kg/s的流速下运行,在Tonatiuh 2.2.4中模拟太阳辐照,并利用ANSYS 23 Fluent研究热流相互作用。结果表明,热效率达到78.44%,最高火用效率为72.54%。最佳结构将优化后的翅片与内管中25% al2o3 - 75% CuO的PCM合并。当外管中加入浓度为1%的60% CuO、30% GO和10% Al2O3的纳米流体时,系统表现出令人难以置信的性能。在0.6 kg/s下,与纯CuO PCM相比,熔化时间缩短了85.63%。这些结果表明,三元混合纳米流体、鳍形结构和二元纳米pcm混合物的相互集成为改善能量储存和传热提供了一种新颖有效的方法。
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引用次数: 0
Enhancing lead-free Cs3Bi2I9 flexible perovskite solar cells via FIRA 通过FIRA增强无铅Cs3Bi2I9柔性钙钛矿太阳能电池
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-17 DOI: 10.1016/j.solener.2025.114130
Adamu Ahmed Goje , Norasikin Ahmad Ludin , Suhaila Sepeai , Mohd Sukor Su’ait , Ubaidah Syafiq , Puvaneswaran Chelvanathan
The progression of flexible perovskite solar cells (FPSCs) is propelling the development of scalable and sustainable next-generation photovoltaics. Nevertheless, traditional fabrication techniques, particularly hot plate annealing, are constrained by prolonged processing durations, high energy consumption, scalability challenges, and environmental concerns due to the use of toxic materials. In this study, we present an innovative approach that integrates a lead-free perovskite material, Cs3Bi2I9, with flash infrared annealing (FIRA) to address these limitations. The FIRA system, which employs near-infrared halogen lamps delivering 5.6  kW/m2 of radiant energy within a hollow aluminium chamber equipped with integrated cooling, facilitates ultra-fast crystallisation of high-quality perovskite films in under 12 s using only 10 pulses. This method yielded flexible solar cells with a power conversion efficiency (PCE) of 1.17 %, markedly surpassing the 0.96 % achieved through conventional hot plate annealing. Beyond enhanced performance, FIRA enables rapid, energy-efficient, and environmentally friendly processing, rendering it ideal for continuous, industrial-scale FPSC fabrication. This work constitutes the first demonstration of integrating FIRA with lead-free Cs3Bi2I9 on flexible substrates, offering a promising trajectory toward commercially viable and eco-conscious solar technologies.
柔性钙钛矿太阳能电池(FPSCs)的发展正在推动可扩展和可持续的下一代光伏电池的发展。然而,传统的制造技术,特别是热板退火,受到加工时间长,高能耗,可扩展性挑战以及由于使用有毒材料而引起的环境问题的限制。在这项研究中,我们提出了一种创新的方法,将无铅钙钛矿材料Cs3Bi2I9与闪光红外退火(FIRA)相结合,以解决这些限制。FIRA系统采用近红外卤素灯,在配备集成冷却的中空铝腔内提供5.6 kW/m2的辐射能,仅使用10个脉冲,即可在12 s内实现高质量钙钛矿薄膜的超快速结晶。该方法获得的柔性太阳能电池的功率转换效率(PCE)为1.17%,明显超过传统热板退火的0.96%。除了增强性能外,FIRA还可以实现快速,节能和环保的加工,使其成为连续,工业规模FPSC制造的理想选择。这项工作首次展示了将FIRA与无铅Cs3Bi2I9集成在柔性基板上,为商业上可行和具有生态意识的太阳能技术提供了一个有希望的发展轨迹。
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引用次数: 0
A decision-making model for rooftop PV retrofit in urban building stocks under climate change 气候变化下城市建筑存量屋顶光伏改造决策模型
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-17 DOI: 10.1016/j.solener.2025.114129
Dingyuan Ma , Siyu Yue , Tongtong Zhao , Zhenyu Han , Chengshuang Sun
Given the vast stock of existing buildings and their substantial energy consumption, rooftop photovoltaic retrofitting has become a key strategy for urban building energy efficiency. However, with the escalating impacts of climate change on building energy consumption, optimizing retrofit strategies under future conditions of the temperature and solar radiation is critical to ensuring investment returns. This article constructs a decision-making model for rooftop photovoltaic intelligent retrofit of urban buildings considering climate change. Firstly, based on the case-based reasoning method, the similarity between the target building and historical retrofitted buildings is calculated for individual buildings. Four machine learning algorithms, including support vector machine, random forest, neural network, and XGBoost, are introduced to predict the probability of rooftop photovoltaic retrofit for the target building. The random forest algorithm is selected as the intelligent decision-making model for individual buildings considering climate change. Secondly, for urban building clusters, a multi-objective optimization model is constructed based on four objectives: similarity, retrofit possibility probability, cost, and lifecycle power generation. The NSGA-II algorithm is used to solve the Pareto optimal solution. Finally, empirical research is conducted based on four typical cities: Harbin, Beijing, Shanghai, and Guangzhou. The results showed that there are differences in the impact of climate change on retrofit planning in different cities, and the benefits of rooftop photovoltaic retrofit showed significant regional differences. The research provides effective methodological support for constructing tailored and climate responsive urban rooftop photovoltaic retrofit strategies, which can provide decision-making basis for policy formulation and engineering practice.
鉴于现有建筑的巨大存量及其巨大的能源消耗,屋顶光伏改造已成为城市建筑节能的关键策略。然而,随着气候变化对建筑能耗的影响日益加剧,在未来温度和太阳辐射条件下优化改造策略是确保投资回报的关键。本文构建了考虑气候变化的城市建筑屋顶光伏智能改造决策模型。首先,基于案例推理方法,对单个建筑计算目标建筑与历史改造建筑的相似度;引入支持向量机、随机森林、神经网络和XGBoost四种机器学习算法,预测目标建筑屋顶光伏改造的概率。选择随机森林算法作为考虑气候变化的单体建筑智能决策模型。其次,针对城市建筑群,基于相似性、改造可能性、成本和全生命周期发电量四个目标,构建了多目标优化模型。采用NSGA-II算法求解Pareto最优解。最后,基于哈尔滨、北京、上海和广州四个典型城市进行实证研究。结果表明,气候变化对不同城市改造规划的影响存在差异,屋顶光伏改造效益呈现显著的区域差异。本研究为构建适应气候变化的城市屋顶光伏改造策略提供了有效的方法支持,可为政策制定和工程实践提供决策依据。
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引用次数: 0
A photovoltaic defect segmentation framework integrating domain knowledge and fine-tuned SAM 集成领域知识和精细SAM的光伏缺陷分割框架
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-17 DOI: 10.1016/j.solener.2025.114145
Chaoyang Song , Jinxia Zhang , Shixiong Fang , Liping Chen
Defect segmentation of electroluminescence (EL) images is an essential component of photovoltaic (PV) systems and plays a key role in promoting sustainable development. However, current methods show limited segmentation performance and insufficient integration of domain priors. A novel deep learning framework, PV-SAM, is designed to address the challenges on the basis of the segment anything model (SAM) for segmenting the defects in EL images of PV cells. PV-SAM can automatically generate segmentation prompts for EL images and obtain high-quality segmentation mask. In order to mitigate the effects of different equipment conditions and inhomogeneous luminous intensity on the representation of detailed information in EL images, a domain guided homomorphic filter is integrated to PV-SAM. Additionally, the segmentation prompts are generated via the fuzzy topology module to direct the framework’s attention toward defective areas. A dedicated side network is also designed to fine-tune the SAM, further enhancing segmentation performance. Experiments results demonstrate that the PV-SAM outperforms existing approaches and has the potential to become a reliable tool for high-quality and large-sized mask generation in the PV industry.
电致发光(EL)图像的缺陷分割是光伏系统的重要组成部分,对促进光伏系统的可持续发展起着关键作用。然而,现有的方法分割效果有限,且对域先验的整合不足。本文提出了一种新的深度学习框架PV-SAM,该框架基于SAM模型来分割PV电池EL图像中的缺陷。PV-SAM可以自动生成EL图像的分割提示,获得高质量的分割掩码。为了减轻不同设备条件和非均匀发光强度对电致发光图像细节信息表示的影响,在PV-SAM中集成了一个域制导同态滤波器。此外,通过模糊拓扑模块生成分割提示,将框架的注意力引导到缺陷区域。一个专用的侧网络也被设计来微调SAM,进一步提高分割性能。实验结果表明,PV- sam优于现有方法,有潜力成为光伏行业高质量和大尺寸掩模生成的可靠工具。
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引用次数: 0
Field tests of an infrared reflective cavity receiver for a parabolic trough collector 抛物线槽型集热器红外反射腔接收机的现场试验
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-17 DOI: 10.1016/j.solener.2025.114162
Philippe Ferrer , K Mohamad
This study reports the design and field testing of a novel parabolic trough collector receiver incorporating an infrared (IR) mirror enclosure with an evacuated cavity and a single-sided solar admission window. The configuration enhances thermal efficiency by reflecting IR radiation back to the absorber pipe, eliminating the need for selective coatings. A 4.4-m prototype, coupled with a 5 m × 2.4 m parabolic mirror and circulating mineral oil at 0.2 kg/s, was tested under real solar conditions. The receiver achieved a thermal efficiency of 69 %, limited primarily by vacuum instability (>0.05 kPa), with projections indicating up to 95 % efficiency if insulation is applied. The design also reduced thermal stress and maintenance demands, and its performance was validated by steady-state heat transfer modeling, demonstrating potential for scalable concentrated solar power deployment.
本研究报告了一种新型抛物线槽集热器接收器的设计和现场测试,该接收器包含一个带真空腔的红外(IR)反射镜外壳和单面太阳能吸收窗。这种结构通过将红外辐射反射回吸收管来提高热效率,从而消除了对选择性涂层的需要。一个4.4米的原型机,加上一个5米× 2.4米的抛物面镜和0.2 kg/s的循环矿物油,在真实的太阳能条件下进行了测试。该接收器的热效率为69%,主要受真空不稳定性(>0.05 kPa)的限制,如果采用绝缘,其预测效率可达95%。该设计还减少了热应力和维护需求,并且通过稳态传热模型验证了其性能,展示了可扩展聚光太阳能部署的潜力。
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引用次数: 0
Decarbonising heavy industry operations with low-cost onsite photovoltaics and battery storage 通过低成本的现场光伏发电和电池存储,使重工业脱碳
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-15 DOI: 10.1016/j.solener.2025.114104
Bin Lu, Charlie Joyce Thomson, Shuang Wang, Alireza Rahbari, Lorrae McArthur, Anyao Liu, John Pye
Decarbonising heavy industries, e.g., steel, aluminium, and cement, present unique challenges due to their high energy intensity and reliance on 24/7 continuous power supply. With volatile fossil fuel prices and increasing carbon regulations, the transition to renewable energy is critical for long-term economic and environmental sustainability. This study develops a new high-resolution energy modelling framework to assess the techno-economic feasibility of supplying 24/7 industrial electricity using low-cost onsite photovoltaic (PV) and battery storage systems. The model incorporates lifecycle degradation and intermittency with an hourly temporal resolution over a 25-year time horizon, integrated with grid interaction and load flexibility strategies. The results show that projected declines in PV and battery costs could lower electricity costs by 41% from $157/MWh to $92/MWh, though energy spillage constrains further savings. Grid interaction through bidirectional electricity exchange with the grid could reduce electricity costs by up to 42% and increase renewable energy integration from 37% to 100%. Load flexibility could reduce electricity costs by up to 80%, while achieving 100% renewable energy integration. Sensitivity analysis suggests that electricity costs are most sensitive to natural gas price and discount rate, while PV and battery degradation also have a measurable impact of $2–$5/MWh. The research findings provide quantitative evidence on the techno-economic feasibility of PV and battery integration for heavy industry operations, supporting strategic decisions for industrial decarbonisation.
脱碳重工业,如钢铁、铝和水泥,由于其高能耗和对24/7连续供电的依赖,面临着独特的挑战。随着化石燃料价格的波动和碳排放法规的增加,向可再生能源的过渡对长期的经济和环境可持续性至关重要。本研究开发了一个新的高分辨率能源建模框架,以评估使用低成本现场光伏(PV)和电池存储系统提供24/7工业电力的技术经济可行性。该模型结合了25年时间范围内的每小时时间分辨率的生命周期退化和间歇性,并集成了电网交互和负载灵活性策略。结果显示,预计光伏和电池成本的下降将使电力成本从157美元/兆瓦时降至92美元/兆瓦时,降幅为41%,但能源溢出限制了进一步的节约。通过与电网的双向电力交换,电网相互作用可以降低高达42%的电力成本,并将可再生能源的整合从37%提高到100%。负载灵活性可以降低高达80%的电力成本,同时实现100%的可再生能源整合。敏感性分析表明,电力成本对天然气价格和贴现率最为敏感,而光伏和电池退化也有2 - 5美元/兆瓦时的可测量影响。研究结果为重工业运营中光伏和电池集成的技术经济可行性提供了定量证据,为工业脱碳的战略决策提供了支持。
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引用次数: 0
Retraction notice to “Performance optimization of lead-free MASnBr3 based perovskite solar cells by SCAPS-1D device simulation”. [Sol. Energy 249 (2022) 11419] “基于SCAPS-1D器件模拟的无铅MASnBr3基钙钛矿太阳能电池性能优化”撤回通知。[太阳能量249 (2022)11419]
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-15 DOI: 10.1016/j.solener.2025.114095
Shammas Mushtaq , Sofia Tahir , Arslan Ashfaq , Ruy Sebastian Bonilla , Muhammad Haneef , Rabia Saeed , Waqas Ahmad , Nasir Amin
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引用次数: 0
Optimizing amorphous BaTiO3 as an electron transport Layer: A study of competing optical and electronic properties under Low-Power sputtering 优化无定形BaTiO3作为电子传输层:低功率溅射下竞争光学和电子特性的研究
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-15 DOI: 10.1016/j.solener.2025.114148
Minhaz Mahmood , Mohammad Tariqul Islam , Mohamad A. Alawad , Abdulmajeed M. Alenezi , Yazeed Alkhrijah , Mohammad Nur-E Alam , Mohd Hafiz Bin Baharuddin , Mohamed S. Soliman
This study investigates the effect of RF sputtering power (60 W to 110 W) on the properties of amorphous barium titanate (BaTiO3) thin films for use as electron transport layers (ETLs). The results reveal a critical trade-off, where no single power optimizes all performance metrics. The film deposited at 80 W exhibited the highest optical transmittance (>90 %) and the smoothest surface morphology (0.16 nm RMS roughness). In contrast, carrier mobility peaked at 5.29 cm2/Vs in the 90 W film, while structural disorder, measured by Urbach energy, was minimized at 0.462 eV in the 100 W film. This decoupling of optima is attributed to competing physical processes during growth; increasing power improves structural order and mobility up to a point, after which high-energy ion bombardment creates defects that reduce transparency and charge transport. This is supported by a non-linear thickness trend, indicating the onset of resputtering at higher powers. These findings demonstrate that selecting the optimal deposition power requires an application-specific compromise. For perovskite solar cells, the superior transparency and smooth interface of the 80 W film are paramount for maximizing photocurrent, making it the most suitable candidate despite its slightly lower mobility.
本文研究了射频溅射功率(60 ~ 110 W)对钛酸钡(BaTiO3)薄膜电子传输层(ETLs)性能的影响。结果揭示了一个关键的权衡,没有一个电源可以优化所有性能指标。在80w下沉积的薄膜具有最高的透光率(> 90%)和最光滑的表面形貌(RMS粗糙度为0.16 nm)。相比之下,载流子迁移率在90w薄膜中达到峰值5.29 cm2/Vs,而在100w薄膜中,以厄巴赫能量测量的结构无序性在0.462 eV时达到最低。这种最优解耦归因于生长过程中相互竞争的物理过程;增加功率可以在一定程度上改善结构秩序和迁移率,在此之后,高能离子轰击会产生降低透明度和电荷传输的缺陷。这得到了非线性厚度趋势的支持,表明在更高的功率下开始重溅射。这些发现表明,选择最佳沉积功率需要特定应用的折衷。对于钙钛矿太阳能电池来说,80w薄膜优越的透明度和光滑的界面对于最大化光电流至关重要,使其成为最合适的候选者,尽管其迁移率略低。
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引用次数: 0
Low temperature chemical synthesis of Mg doped GaN nanoparticles for high efficiency flexible homojunction solar cells 低温化学合成高效柔性同结太阳能电池用掺镁氮化镓纳米颗粒
IF 6 2区 工程技术 Q2 ENERGY & FUELS Pub Date : 2025-11-15 DOI: 10.1016/j.solener.2025.114134
Motahher A. Qaeed , M.K.M. Ali , Asad A. Thahe , Omar.F. Farhat , A. mindil , A.I. Aljameel , Ammar AL-Farga
This work presents a novel low-temperature chemical synthesis technique for magnesium Mg-doped Gallium nitride (GaN) nanoparticles (NPs) to create flexible, high-efficiency homojunction solar cells. Ga (III) acetylacetonate and oleylamine were used to synthesize GaN NPs at 90 °C. Mg doping was then applied to obtain p-type conductivity. A dominant wurtzite phase with optimal crystallinity at a Mg doping ratio of 0.015 was identified through characterization by using X-ray diffraction, field-emission scanning electron microscopy, and Hall effect measurements. This doping resulted in a hole concentration of 5 × 1017 cm−3, mobility of 0.75 cm2/V s, and resistivity of 1 × 10−3 Ω cm. These characteristics facilitated the fabrication of n-GaN/p-GaN homojunction solar cells on flexible polyethylene terephthalate substrates with a fill factor of 68.63 % and conversion efficiency of 7.52 %. D-sorbitol was utilized to increase adhesion and flexibility, effectively improving electrical conductivity and mechanical stability. This study effectively demonstrated that by balancing charge carriers and reducing defects, flexible solar cells can be fabricated from Mg-doped GaN NPs in a chemically economical manner.
本工作提出了一种新的低温化学合成技术,用于制备镁掺杂氮化镓纳米颗粒(NPs),以制造柔性、高效的同质结太阳能电池。采用Ga (III)乙酰丙酮酸和油胺在90℃下合成氮化镓纳米粒子。然后用Mg掺杂获得p型电导率。通过x射线衍射、场发射扫描电镜和霍尔效应测量,确定了Mg掺杂比为0.015时结晶度最佳的纤锌矿优势相。结果表明,该材料的空穴浓度为5 × 1017 cm−3,迁移率为0.75 cm2/V s,电阻率为1 × 10−3 Ω cm,可在柔性聚对苯二甲酸乙二醇酯衬底上制备n-GaN/p-GaN同质结太阳能电池,填充系数为68.63%,转换效率为7.52%。d -山梨醇用于增加附着力和柔韧性,有效提高电导率和机械稳定性。该研究有效地证明了通过平衡载流子和减少缺陷,可以以化学经济的方式从掺杂mg的GaN NPs制备柔性太阳能电池。
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引用次数: 0
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Solar Energy
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