Solar Energy Materials and Solar Cells最新文献_第10页

Synchronous spectral management and UV tolerance in carbon-based perovskite solar cells by Eu3+ doped BaTiO3/TiO2 nanocomposite ETL Eu3+掺杂BaTiO3/TiO2纳米复合材料ETL在碳基钙钛矿太阳能电池中的同步光谱管理和紫外耐受性

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-10 DOI: 10.1016/j.solmat.2025.114059

Gayathre Lakshmi M. Anandan , Mahalakshmi Mani , Acchutharaman Kunka Ravindran , Senthil Pandian Muthu

Down-conversion, a Stokes emission, is a solution for overcoming UV-driven deterioration and maximizing current collection in the perovskite solar cells. Down-conversion nanophosphor plays a crucial role in converting a single high-energy UV photon into multiple low-energy visible photons; thus, it aids the perovskite layer to absorb multiple photons, resulting in increased carrier generation. For the first time, Eu³⁺:BaTiO₃/TiO₂ nanocomposite was used as the electron transport layer in the carbon electrode-based perovskite solar cells. This Eu³⁺:BaTiO₃ owns unique benefits possessed by the Lanthanide doping onto the perovskite oxide host matrix. The optimization of nanophosphor involved varying the concentrations of the Eu dopant (0, 1, 3, 5, 7 & 9 mol%). Based on the performance, 5 % Eu concentration was selected as the optimal version, corroborated by suitable material characterizations. On compositing this 5 mol% Eu³⁺:BaTiO₃ with TiO₂ in different wt% (0, 20, 40, 60, 80 and 100), the superior variant (40 %Eu-BTO-based-device) produced the highest efficiency (η) = 11.4 %, J_sc = 22.28 mA/cm² and FF = 53.5 % among others. This champion device retained 83 % of its initial efficiency after 40 days under ambient conditions (relative humidity ∼50 %) and 72 % of its initial efficiency after 48 h under continuous UV illumination. The reproducibility and the cell performances were examined by adequate studies and the evidence supporting the results was discussed. This research demonstrated that the remarkable Eu-BTO/TiO₂ nanocomposite, used for electron transportation in the economical perovskite solar cell, enhanced device stability by reducing degradation caused by environmental moisture and UV irradiation.

下转换，一种斯托克斯发射，是克服紫外线驱动劣化和最大化钙钛矿太阳能电池电流收集的解决方案。下转换纳米荧光粉在将单个高能紫外光子转化为多个低能可见光光子方面起着至关重要的作用；因此，它有助于钙钛矿层吸收多个光子，从而增加载流子的产生。首次将Eu3+:BaTiO3/TiO2纳米复合材料作为碳电极基钙钛矿太阳能电池的电子传输层。这种Eu3+:BaTiO3具有镧系元素掺杂到钙钛矿氧化物基体上所具有的独特优势。纳米磷光体的优化涉及改变Eu掺杂剂的浓度（0,1,3,5,7 & 9 mol%）。以性能为基础，选择浓度为5%的Eu为最佳版本，并通过合适的材料表征加以验证。在不同质量分数（0、20、40、60、80和100）的TiO2复合中，优型（40% eu - bto基器件）的效率最高，η为11.4%，Jsc为22.28 mA/cm2， FF为53.5%。这种冠军装置在环境条件下（相对湿度~ 50%）40天后保持了83%的初始效率，在连续紫外线照射48小时后保持了72%的初始效率。通过充分的研究检验了该方法的可重复性和细胞性能，并讨论了支持结果的证据。该研究表明，Eu-BTO/TiO2纳米复合材料用于经济型钙钛矿太阳能电池的电子传输，通过减少环境湿度和紫外线照射引起的降解，提高了器件的稳定性。

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引用次数: 0

9.4 % efficient kesterite solar cells on bare FTO enabled by synergistic Ag/Na doping and annealing optimization 通过协同Ag/Na掺杂和退火优化，在裸FTO上实现了9.4%效率的kesterite太阳能电池

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-10 DOI: 10.1016/j.solmat.2025.114063

Wenjian Chan , Yu Mao , Mengyang Wang , Yuanyuan Huang , Yanmei Deng , Ziyang Ren , Ening Gu , Xianzhong Lin , Guowei Yang

The fabrication of kesterite Cu₂ZnSn(S,Se)₄ (CZTSSe) solar cells based on fluorine-doped tin oxide (FTO) substrates, as an alternative to conventional molybdenum, is highly attractive for applications in semitransparent, bifacial and tandem photovoltaic devices. Although FTO exhibits phase stability during the high-temperature annealing process required for CZTSSe grain growth, its electrical conductivity decreases significantly, impairing carrier transport and limiting device performance. Addressing this issue necessitates lowering the annealing temperature without compromising the crystallinity of the CZTSSe absorber layer. In this study, we demonstrate the growth of high-crystallinity CZTSSe absorbers on FTO substrates at a reduced temperature of 500 °C, facilitated by silver (Ag) and sodium (Na) doping in the precursor film. The absorbers were fabricated from a 2-methoxyethanol-based molecular ink, and the annealing duration was systematically optimized. We found that the crystallinity and morphology of the CZTSSe layer are strongly influenced by annealing time. An optimal film morphology was achieved with a 15-min anneal, whereas shorter annealing (≤10 min) resulted in incomplete crystallization, and extended annealing (>20 min) promoted void formation within the absorber due to Ostwald ripening. Furthermore, the optimized annealing process reduces the interface defect density and broadens the depletion width of the device, leading to a record power conversion efficiency of 9.4 % for CZTSSe solar cells on bare FTO substrates. These results provide important insights for developing efficient bifacial CZTSSe solar cells.

基于氟掺杂氧化锡（FTO）衬底的kesterite Cu2ZnSn(S,Se)4 （CZTSSe）太阳能电池，作为传统钼的替代品，在半透明、双面和串联光伏器件中的应用具有很高的吸引力。尽管在CZTSSe晶粒生长所需的高温退火过程中，FTO表现出相稳定性，但其电导率显著降低，从而影响载流子输运并限制器件性能。解决这个问题需要降低退火温度而不影响CZTSSe吸收层的结晶度。在这项研究中，我们证明了高结晶度的CZTSSe吸收体在FTO衬底上在500℃的低温下生长，并在前体膜中掺杂银（Ag）和钠（Na）。以2-甲氧基乙醇为原料制备了吸收剂，并对其退火时间进行了系统优化。我们发现，退火时间对CZTSSe层的结晶度和形貌有很大的影响。15分钟的退火达到了最佳的膜形态，而较短的退火（≤10分钟）导致结晶不完全，延长的退火（20分钟）促进了吸收器内由于奥斯特瓦尔德成熟而形成的空隙。此外，优化的退火工艺降低了界面缺陷密度，拓宽了器件的耗尽宽度，使得裸FTO衬底上的CZTSSe太阳能电池的功率转换效率达到了创纪录的9.4%。这些结果为开发高效的双面CZTSSe太阳能电池提供了重要的见解。

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引用次数: 0

Standardization as a pathway to a circular PV industry: Addressing material recovery and design challenges 标准化作为循环光伏产业的途径：解决材料回收和设计挑战

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-10 DOI: 10.1016/j.solmat.2025.114067

Piyal Chowdhury , Hemal Chowdhury , Tamal Chowdhury , Richard Corkish

The global deployment of photovoltaic (PV) systems is expanding rapidly as nations pursue low carbon energy transitions. This growth, however, is accompanied by increasing pressure on critical materials, including aluminium and low iron silica sand, which are essential for PV module manufacturing. Both materials face supply challenges and contribute significantly to environmental impacts during extraction and processing. End-of-life PV modules present an opportunity for circular resource use, yet remanufacturing is currently hindered by technological limitations, contamination risks, and heterogeneity in module design. In this study, we argue that standardization of PV modules, especially in terms of physical dimensions, can be a key enabler of scalable and effective recycling, remanufacturing, and reuse. A conceptual framework is presented that links physical standardization with suitable recovery technologies and supportive policy mechanisms such as Extended Producer Responsibility. A comparative analysis highlights the energy and material recovery advantages of the standardized approach over current practices. Together, these insights highlight that PV module standardization is not only feasible but also essential for achieving a circular economy in the PV sector.

随着各国追求低碳能源转型，光伏（PV）系统的全球部署正在迅速扩大。然而，这种增长伴随着对关键材料的压力增加，包括铝和低铁硅砂，这些材料对光伏组件制造至关重要。这两种材料都面临供应挑战，并在提取和加工过程中对环境造成重大影响。报废光伏组件为循环资源利用提供了机会，但再制造目前受到技术限制、污染风险和组件设计异质性的阻碍。在本研究中，我们认为光伏组件的标准化，特别是在物理尺寸方面，可以成为可扩展和有效回收，再制造和再利用的关键促成因素。提出了一个概念框架，将物理标准化与适当的恢复技术和支持性政策机制（如扩大生产者责任）联系起来。一项比较分析强调了标准化方法相对于当前做法的能源和材料回收优势。总之，这些见解强调了光伏组件标准化不仅可行，而且对于实现光伏行业的循环经济至关重要。

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引用次数: 0

Evolution of treated CdS/CdZnTe interface structures for CdZnTe based solar cells CdZnTe基太阳能电池中处理过的CdS/CdZnTe界面结构的演变

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-09 DOI: 10.1016/j.solmat.2025.114066

Subhash Chander , Mahendra Singh Dhaka , Arijit Kumar De , Inderpreet Kaur

The electrical energy generated by cadmium telluride (CdTe) solar panels is the most inexpensive energy within the photovoltaic technology industries and undermines fossil fuel-based energy resources across the world. This is owing to latest efficiency improvements carried out by alloying selenium (Se) into the absorber CdTe layer, and consequently, device efficiency reaches up to its current record of 23.1 %. Even though the Se-accumulation is understood to decrease the optical bandgap of the absorbing material layer, and increment in the short-circuit current, but only this accumulation does not enhance the device performance. Therefore, zinc (Zn) can be alloyed into the CdTe to make new trinary semiconductor cadmium zinc telluride (CdZnTe) material. This material can be used as absorber layer material in the single junction based solar cell device structures. So, we probe the evolution of the CdS/CdZnTe interface following post-annealing at 400 °C in different atmospheres, and correlate depth-resolved chemical changes with optical signatures and device performance. This combined spectroscopic–chemical–device study reveals interfacial mechanisms unique to CdZnTe and identifies annealing conditions that reduce recombination and improve device voltages and efficiencies. The maximum efficiency (9.78 %) was recorded for device treated in Ar + O₂ atmosphere and stability test of this device revealed that it has an efficiency of more than 91 % as compared to the initial efficiency original one's after 270 h. These outcomes may provide a route cast for further enhancement in the performance, which resulting even lower budgets for solar-generated electrical energy.

碲化镉（CdTe）太阳能电池板产生的电能是光伏技术产业中最便宜的能源，破坏了世界各地的化石燃料能源。这是由于将硒（Se）合金化到吸收剂CdTe层中进行了最新的效率改进，因此，器件效率达到了23.1%的当前记录。虽然硒的积累可以减小吸收材料层的光带隙，增加短路电流，但这种积累并不能提高器件的性能。因此，可以将锌（Zn）合金化到碲化镉（CdTe）中，制成新型三元半导体碲化镉锌（CdZnTe）材料。该材料可作为单结太阳能电池器件结构的吸收层材料。因此，我们研究了在不同气氛下400℃退火后CdS/CdZnTe界面的演变，并将深度分辨化学变化与光学特征和器件性能相关联。这项结合光谱-化学-器件的研究揭示了CdZnTe特有的界面机制，并确定了减少复合和提高器件电压和效率的退火条件。该装置在Ar + O2气氛中处理的最高效率为9.78%，稳定性测试表明，与初始效率相比，该装置在270 h后的效率超过91%。这些结果可能为进一步提高性能提供了途径，从而进一步降低太阳能发电的预算。

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引用次数: 0

First principal density functional theory study of an optimized inverted perovskite solar cell with ⍺-MoO3 hole transport layer 带mo3空穴输运层的优化倒钙钛矿太阳能电池的第一主密度泛函理论研究

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-08 DOI: 10.1016/j.solmat.2025.114043

Mahdiyeh Zeynali , Mahdiyeh Meskini , Saeid Asgharizadeh , Saeid Khesali Azadi

Recently, there has been an extensive focus on inverted perovskite solar cells (IPSCs) in the photovoltaic field with the aim of fulfilling global energy demand via renewable sources. This study focuses on advancements in materials that enhance the performance of IPSCs. We propose an architecture comprising a methylammonium lead triiodide absorber layer (MAPbI₃), a PCBM electron transport layer (ETL), and a nickel oxide (NiO) hole transport layer (HTL). To analyze this configuration, the Density Functional Theory (DFT) is employed to assess and extract the structural, electronic, and optical properties of the ⍺-MoO₃ HTL. The electronic band gap (E_g) for the α-MoO₃ HTL has been calculated to be 2.97eV, aligning with previously reported theoretical values. Meanwhile, we conducted simulations using the Solar Cell Capacitance Simulator (SCAPS) software. We use an N, N′-1-dinaphthyl-N, N′-diphenyl-(1,1′-biphenyl-4,4′-diamine (NPB) buffer layer to address the chemical interactions at the HTL/absorber layer interface. Optimization was implemented to enhance power conversion efficiency (PCE). By incorporating a NPB buffer layer, we implemented an optimization process to enhance PCE. As a result, the open-circuit voltage (V_OC) increased from 1.09V to 1.10V, significantly boosting the power conversion efficiency to 22.66 %.

近年来，倒置钙钛矿太阳能电池（IPSCs）在光伏领域受到广泛关注，旨在通过可再生能源满足全球能源需求。本研究的重点是提高IPSCs性能的材料的进展。我们提出了一种由三碘化铅甲基铵吸收层（MAPbI3）、PCBM电子传输层（ETL）和氧化镍空穴传输层（HTL）组成的结构。为了分析这种构型，我们使用密度泛函理论（DFT）来评估和提取该物质的结构、电子和光学性质。α-MoO3 HTL的电子带隙（Eg）为2.97eV，与先前报道的理论值一致。同时，我们利用太阳能电池电容模拟器（SCAPS）软件进行了模拟。我们使用N， N ' -1-二萘基-N， N ' -二苯基-(1,1 ' -联苯-4,4 ' -二胺（NPB）缓冲层来处理HTL/吸收层界面上的化学相互作用。为了提高功率转换效率（PCE），对系统进行了优化。通过引入NPB缓冲层，对PCE进行优化，使开路电压（VOC）从1.09V提高到1.10V，功率转换效率显著提高到22.66%。

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引用次数: 0

NiOx hole transport layers enable industrial-scale, large-area heterojunction solar cells with efficiencies approaching 24 % NiOx空穴传输层使工业规模、大面积异质结太阳能电池的效率接近24%

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-08 DOI: 10.1016/j.solmat.2025.114053

Xuanfei Kuang , ZongTao Liu , GuangTao Yang , Xiao Yao , Yusen Lin , Zhi Xu , Zhenjia Wang , Bangqi Jiang , Ruy S. Bonilla , Zongcun Liang

Transparent passivated contacts (TPCs) have recently emerged as a promising strategy for enhancing the performance of silicon heterojunction (SHJ) solar cells, particularly with the development of efficient hole transport layers (HTLs). In this study, an optimized, a scalable NiO_x hole transport layer was successfully implemented on industrial-scale SHJ solar cells with an area of 220.5 cm² via electron beam physical vapor deposition (EB-PVD). A NiO_x HTL enables, a short-circuit current density (J_sc) of 40.06 mA/cm², but the open-circuit voltage (V_oc) was limited to 512 mV due to interfacial recombination. To address this, an ultra-thin p-type microcrystalline silicon (nc-Si:H(p⁺)) buffer layer with a thickness of 5 nm was inserted between the nc-Si:H(i) and NiO_x layers, forming an nc-Si:H(i)/nc-Si:H(p⁺)/NiO_x hetero-structure. This interfacial engineering strategy effectively suppressed carrier recombination, resulting in a substantial increase in the V_oc to 746 mV. The high passivation was accompanied by an enhancement carrier collection as seen by a fill factor of 81.96 %, thereby enabling a power conversion efficiency (PCE) of 23.89 % - among the highest for NiO_x-based SHJ solar cells. This study demonstrates the feasibility of integrating a novel dopant-free hole transport layer into industrial-scale, large-area silicon solar cells through rational interface engineering.

透明钝化触点（tpc）最近成为提高硅异质结（SHJ）太阳能电池性能的一种有前途的策略，特别是随着高效空穴传输层（HTLs）的发展。在本研究中，通过电子束物理气相沉积（EB-PVD），成功地在面积为220.5 cm2的工业规模SHJ太阳能电池上实现了优化的、可扩展的NiOx空穴传输层。NiOx HTL可以实现40.06 mA/cm2的短路电流密度（Jsc），但由于界面重组，开路电压（Voc）被限制在512 mV。为了解决这个问题，在nc-Si:H(i)和NiOx层之间插入了厚度为5 nm的超薄p型微晶硅（nc-Si:H(p+)）缓冲层，形成了nc-Si:H(i)/nc-Si:H(p+)/NiOx异质结构。这种界面工程策略有效地抑制了载流子复合，导致Voc大幅增加到746 mV。高钝化伴随着增强的载流子收集（填充系数为81.96%），从而使功率转换效率（PCE）达到23.89%，是niox基SHJ太阳能电池中最高的。该研究表明，通过合理的界面工程，将一种新型无掺杂空穴传输层集成到工业规模的大面积硅太阳能电池中是可行的。

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引用次数: 0

Mask and plate copper metallization for silicon heterojunction and perovskite silicon tandem solar cells 硅异质结和钙钛矿硅串联太阳能电池的掩膜和板铜金属化

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-07 DOI: 10.1016/j.solmat.2025.114055

Jörg Schube , Maral Ghanbari , Raphael Efinger , Gabriele Mikolasch , Oliver Fischer , Patricia S.C. Schulze , Jonas Bartsch , Roman Keding

To cope with the worldwide increasing demand for photovoltaics, it is inevitable for solar cell metallization to switch from scarce silver to abundantly available copper. To this end, this work offers a silver-free and industrially feasible ultra-low-temperature metallization approach called mask and plate. Using this metallization scheme, which is mainly based on inkjet printing of a resist and galvanic metal deposition, pure copper metal electrodes are applied to industrial M6-sized (edge length of 166 mm) silicon heterojunction (SHJ) solar cells' front sides. While the screen-printed reference cells use (6 ± 1) mg W⁻¹ of silver, the mask and plate pendants use (4 ± 2) mg W⁻¹ of copper instead on busbarless half cells' front sides. Due to a width reduction of the electrodes down to (14 ± 2) μm and the electrodes’ low lateral resistivity of (2.0 ± 0.6) μΩ cm, mask and plate outperforms screen printing regarding photoconversion efficiency by 0.6 %_abs on average, while silver is completely substituted by copper. This work further demonstrates the applicability of mask and plate copper metallization to 1.21 cm²-sized perovskite silicon tandem solar cells without significant damage. It can, thus, be an enabler for silver-free industrial metallization of next-generation solar cells.

为了应对全球对光伏发电日益增长的需求，太阳能电池金属化从稀缺的银向丰富的铜转变是不可避免的。为此，这项工作提供了一种无银和工业上可行的超低温金属化方法，称为掩膜和板。利用这种金属化方案，主要是基于喷墨打印的抗蚀剂和金属电沉积，纯铜金属电极应用于工业6m尺寸（边缘长度为166 mm）硅异质结（SHJ）太阳能电池的正面。而丝网印刷的参考电池使用（6±1）mg W−1的银，掩膜和板挂件使用（4±2）mg W−1的铜代替无母线半电池的正面。由于电极的宽度减小到（14±2）μm，电极的侧向电阻率（2.0±0.6）μΩ cm，掩膜和板的光转换效率平均比丝网印刷高出0.6% abs，而银完全被铜取代。这项工作进一步证明了掩膜和板铜金属化在1.21 cm2大小的钙钛矿硅串联太阳能电池上的适用性，而不会造成重大损害。因此，它可以成为下一代太阳能电池的无银工业金属化的推动者。

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引用次数: 0

Development of molybdenum doped cerium oxide passive counter electrodes by surfactant-assisted ultrasonic spray pyrolysis 表面活性剂辅助超声喷雾热解法制备掺钼氧化铈被动对电极

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-07 DOI: 10.1016/j.solmat.2025.114060

Florian Gillissen , Pierre Colson , Gilles Spronck , Anthony Maho , Rudi Cloots , Jennifer Dewalque

Numerous optoelectronic systems, such as electrochromic smart windows, require efficient counter electrodes for their functional operation. Herein, cerium oxide (CeO₂) based layers are considered as optically-neutral compounds of high electrochemical activity. Their deposition as thin films onto conducting glass substrates is carried out via surfactant-assisted ultrasonic spray pyrolysis, while further considering heteroelement doping with molybdenum (0–10 %at.). Highly transparent and homogeneous films are accordingly produced, demonstrating important ion storage abilities, especially in the optimal case (6 %at. Mo), bearing a 28 mC cm⁻² charging capacity, together with 90+% transmittance over a large optical range. Morpho-structural characterizations additionally highlight a high homogeneity in the deposited layers, owing to the presence of the surfactant species, and enhancing the transmittance of the films. Moreover, the substitution of Ce⁴⁺ ions by Mo⁶⁺ in the crystal lattice is shown to create additional oxygen vacancies in the layers, contributing to the observed increase in charging capacity. Altogether, excellent optical and electrochemical performances are obtained from such Mo-doped CeO₂ formulations, surpassing most of the current related literature. Finally, proof-of-concept electrochromic devices, combining Mo-doped CeO₂ optically-neutral electrodes with WO₃ films and involving either liquid- or solid, gel-based electrolytes, display great performances of large optical contrasts, fast kinetics, and good coloration efficiencies.

许多光电系统，如电致变色智能窗口，需要有效的反电极来实现其功能操作。在此，氧化铈（CeO2）基层被认为是具有高电化学活性的光中性化合物。通过表面活性剂辅助超声喷雾热解将其作为薄膜沉积在导电玻璃基板上，同时进一步考虑掺杂钼（0 - 10% at.）。因此产生了高度透明和均匀的薄膜，显示出重要的离子储存能力，特别是在最佳情况下（6% at）。Mo)，具有28 mccm - 2的充电容量，在大光学范围内具有90%以上的透过率。由于表面活性剂的存在和薄膜透光率的提高，形态结构表征还突出了沉积层的高度均匀性。此外，晶格中的Mo6+取代Ce4+离子会在层中产生额外的氧空位，有助于观察到的充电容量的增加。总的来说，这种掺杂mo的CeO2配方获得了优异的光学和电化学性能，超过了目前大多数相关文献。最后，概念验证型电致变色器件将掺杂mo的CeO2光中性电极与WO3薄膜结合，采用液体或固体凝胶电解质，显示出大光学对比度，快速动力学和良好的显色效率。

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引用次数: 0

Thermal decomposition behavior and mechanisms of solar salt under high-temperature conditions 高温条件下太阳盐的热分解行为及机理

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-07 DOI: 10.1016/j.solmat.2025.114050

Xinyi Li , Yanwei Huang , Mingkai Fu , Xin Li , Fengwu Bai , DongQiang Lei

In concentrated solar power (CSP) systems, solar salt serves as a crucial heat transfer and storage medium. However, there are significant variations in the reported decomposition temperatures of this salt under operation conditions. In this study, we employed synchronous thermal analysis (STA) to combine thermogravimetric (TG) and differential scanning calorimetry (DSC) data for a systematic investigation. The focus was on understanding the effects of sample mass, heating rate, and atmospheric conditions on the high-temperature decomposition of solar salt. Our research led to several key findings: Firstly, an increase in sample mass (from 4.676 to 88.10 mg) resulted in an exponential increase in decomposition temperature, reaching 677.03 °C (88.10 mg). Interestingly, 70 % of the residual mass was attributed to limitations in heat and mass transfer. Secondly, varying heating rates (from 2 °C/min to 20 °C/min) caused thermal hysteresis, elevating the decomposition temperature by as much as 72.07 °C (from 561.37 °C to 633.44 °C). When extrapolated to 0 °C/min, the intrinsic decomposition temperature was determined to be 514.85 °C. Thirdly, using a nitrogen atmosphere resulted in a reduction of 21.80 °C in the decomposition onset temperature compared to air (578.18 °C versus 599.98 °C), and also enhanced the completeness of decomposition by reducing oxygen diffusion barriers. Finally, the melting enthalpy peaked at 139.19–139.68 J/g (10–15 °C/min), while the decomposition enthalpy fluctuated depending on the testing parameters. This study has established an intrinsic temperature benchmark that could provide valuable insights for standardizing material evaluation and optimizing operational safety in CSP plants.

在聚光太阳能发电（CSP）系统中，太阳能盐是一种重要的传热和存储介质。然而，在操作条件下，这种盐的分解温度有很大的变化。在这项研究中，我们采用同步热分析（STA）结合热重（TG）和差示扫描量热（DSC）数据进行系统研究。重点是了解样品质量、加热速率和大气条件对太阳盐高温分解的影响。我们的研究有几个关键发现：首先，样品质量的增加（从4.676增加到88.10 mg）导致分解温度呈指数增长，达到677.03°C （88.10 mg）。有趣的是，70%的剩余质量归因于传热和传质的限制。其次，不同的加热速率（从2°C/min到20°C/min）引起热滞后，使分解温度升高72.07°C（从561.37°C到633.44°C）。当外推到0°C/min时，确定其固有分解温度为514.85°C。第三，在氮气气氛下，分解起始温度比在空气中（578.18°C比599.98°C）降低了21.80°C，并且通过减少氧扩散屏障，提高了分解的完全性。熔融焓峰值为139.19 ~ 139.68 J/g(10 ~ 15℃/min)，分解焓随试验参数的变化而波动。该研究建立了一个固有温度基准，可以为CSP工厂的标准化材料评估和优化运行安全性提供有价值的见解。

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引用次数: 0

Insights into the LaCl3-regulated microstructure and transport properties of oxygen-contaminated MgCl2 molten salt via machine learning 通过机器学习了解lacl3调控的氧污染MgCl2熔盐的微观结构和输运性质

IF 6.3 2区材料科学 Q2 ENERGY & FUELS

Solar Energy Materials and Solar Cells

Pub Date : 2025-11-07 DOI: 10.1016/j.solmat.2025.114048

Yun Xie, Hao Zhang, Guimin Lu

MgCl₂-based molten salts have long suffered from the detrimental effects of oxygen impurity in both next-generation concentrated solar power (CSP) systems and magnesium electrolysis process. Trace O²⁻ ions strongly coordinate with Mg²⁺ to form MgO, which leads to cathode passivation, sludge formation, reduced product quality, and decreased current efficiency. In this study, deep potential molecular dynamics simulations are employed for the first time to elucidate the mechanistic role of LaCl₃ additive in modulating the microstructure and transport properties of oxygen-containing MgCl₂ molten salt. The diminished intensity of the first peak in the Mg-O radial distribution function, together with the reduced coordination number of Mg around O, suggests that La³⁺ weakens Mg-O interaction. Due to its high charge density, La³⁺ preferentially coordinates with O²⁻, thereby modifying the local oxygen environment. The addition of LaCl₃ increases the density and shear viscosity of the system while lowering its ionic conductivity. Furthermore, the temperature dependence of key properties is clarified: density and shear viscosity decrease with rising temperature, whereas ion self-diffusion coefficient and ionic conductivity increase. Machine learning molecular dynamics simulations thus provide a powerful framework for revealing the role of LaCl₃ in oxygen-containing MgCl₂ molten salt, offering theoretical guidance for extending the service life of molten salts in energy-related applications and reducing the energy consumption of magnesium electrolysis.

在下一代聚光太阳能（CSP）系统和镁电解工艺中，mgcl2基熔盐一直受到氧杂质的不利影响。微量O2−离子与Mg2+强配位形成MgO，导致阴极钝化，形成污泥，降低产品质量，降低电流效率。本研究首次采用深势分子动力学模拟方法，阐明了LaCl3添加剂对含氧MgCl2熔盐微观结构和输运性能的调控机制。Mg-O径向分布函数中第一个峰的强度减弱，以及Mg在O周围的配位数减少，表明La3+减弱了Mg-O相互作用。La3+由于电荷密度高，优先与O2−配位，从而改变了局部氧环境。LaCl3的加入增加了体系的密度和剪切粘度，同时降低了其离子电导率。此外，澄清了关键性能的温度依赖性：密度和剪切粘度随温度升高而降低，而离子自扩散系数和离子电导率随温度升高而增加。因此，机器学习分子动力学模拟为揭示LaCl3在含氧MgCl2熔盐中的作用提供了一个强大的框架，为延长熔盐在能源相关应用中的使用寿命和降低镁电解的能耗提供了理论指导。

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引用次数: 0