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Insight into cooling requirements for thermophotovoltaic devices 深入了解热光伏器件的冷却要求
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-22 DOI: 10.1016/j.solmat.2025.114023
Bhrigu Rishi Mishra , Alexis Vossier , Inès Revol , Guilhem Almuneau , Rodolphe Vaillon
{"title":"Insight into cooling requirements for thermophotovoltaic devices","authors":"Bhrigu Rishi Mishra ,&nbsp;Alexis Vossier ,&nbsp;Inès Revol ,&nbsp;Guilhem Almuneau ,&nbsp;Rodolphe Vaillon","doi":"10.1016/j.solmat.2025.114023","DOIUrl":"10.1016/j.solmat.2025.114023","url":null,"abstract":"<div><div>Performance of thermophotovoltaic conversion devices depends on the operating temperature of the cell, and thus on how heat generated in the cell is dissipated. The present research examines the cooling requirements that allow the cell to operate at a specified temperature, based on the parameters influencing electrical power generation. A detailed balance approach and a simple thermal model involving an effective heat transfer coefficient are used. Key parameters, such as emitter temperature, view factor, in-band transmission and out-of-band transmission functions, and external radiative efficiency, are systematically varied to evaluate their influence on pairwise efficiency and power density, and on the required effective heat transfer coefficient to ensure that the cell operates at selected temperatures. Although thermophotovoltaic cells are typically presumed to function at close to ambient, our findings indicate that maintaining this operating temperature necessitates a cooling system with a substantially high effective heat transfer coefficient (<span><math><mrow><mo>∼</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>3</mn></mrow></msup><mo>−</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>4</mn></mrow></msup></mrow></math></span> Wm<sup>−2</sup>K<sup>−1</sup>). The cooling challenge grows when the cell bandgap diminishes, due to the interplay of rising power density and decreasing pairwise efficiency. The cooling requirements increase with the temperature of the emitter and the view factor. Nevertheless, they can be mitigated by reducing both in-band and out-of-band transmission functions. They are underestimated, and the bandgap optimizing pairwise efficiency or power density is inadequately predicted when the cell is assumed to operate in the radiative limit. These insights into cooling requirements imply that they should be considered from the initial stages of thermophotovoltaic device design.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"296 ","pages":"Article 114023"},"PeriodicalIF":6.3,"publicationDate":"2025-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145340321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lead-free perovskite materials for optoelectronic and solar energy applications 光电和太阳能应用无铅钙钛矿材料
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-19 DOI: 10.1016/j.solmat.2025.114025
Mohammed K.M. Ali , Ahmed A. Mohsen , Nageh K. Allam
{"title":"Lead-free perovskite materials for optoelectronic and solar energy applications","authors":"Mohammed K.M. Ali ,&nbsp;Ahmed A. Mohsen ,&nbsp;Nageh K. Allam","doi":"10.1016/j.solmat.2025.114025","DOIUrl":"10.1016/j.solmat.2025.114025","url":null,"abstract":"<div><div>Lead-free halide perovskites have attracted growing attention as sustainable alternatives to their lead-containing counterparts, offering reduced toxicity and potentially improved long-term stability for photovoltaic and optoelectronic applications. However, the field remains fragmented, with widely varying synthesis strategies, stability benchmarks, and performance metrics, making it difficult to identify consistent design principles. This review provides a critical and integrative evaluation of the most recent advances in lead-free perovskite materials, highlighting structure-property-stability correlations across different perovskite families including Sn-, Bi-, Ge-, and Sb-based systems, as well as double and vacancy-ordered perovskites. Unlike previous reviews, this article introduces a comparative analysis that connects chemical composition, crystal dimensionality, and electronic structure with experimentally observed photovoltaic performance and degradation pathways. It also compiles and evaluates emerging trends in interface modification, defect passivation, and compositional engineering aimed at mitigating oxidation and moisture sensitivity. In addition, the review surveys recent computational and data-driven screening strategies that enable predictive design of stable, efficient lead-free perovskites. By critically mapping both progress and persisting challenges, this work provides a coherent framework for future materials development and device integration, positioning lead-free perovskites as key candidates for sustainable next-generation solar energy technologies.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114025"},"PeriodicalIF":6.3,"publicationDate":"2025-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Influence of the nitrite impurity on Solar Salt: Thermophysical properties and structural analysis 亚硝酸盐杂质对太阳盐的影响:热物理性质及结构分析
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-18 DOI: 10.1016/j.solmat.2025.114017
Yannan Kang , Yuan Zhong , Huaiyou Wang , Yue zhang , Xinghong Duo , Jinli Li
{"title":"Influence of the nitrite impurity on Solar Salt: Thermophysical properties and structural analysis","authors":"Yannan Kang ,&nbsp;Yuan Zhong ,&nbsp;Huaiyou Wang ,&nbsp;Yue zhang ,&nbsp;Xinghong Duo ,&nbsp;Jinli Li","doi":"10.1016/j.solmat.2025.114017","DOIUrl":"10.1016/j.solmat.2025.114017","url":null,"abstract":"<div><div>Solar Salt is the most widely used heat transfer and storage medium in concentrated solar power plants. However, the performance of Solar Salt and its economic viability in industrial applications is influenced by NO<sub>2</sub><sup>−</sup>, an impurity whose effect on the thermal properties of Solar Salt remains underexplored. This study involved a systematic investigation of the effects of this impurity (0.5–6.0 wt%) on the thermophysical properties (including the melting point, decomposition temperature, specific heat capacity, viscosity, thermal conductivity, and density) and the thermal stability of Solar Salt, and the influence of NO<sub>2</sub><sup>−</sup> on the microstructure of the molten salt is elucidated. NO<sub>2</sub><sup>−</sup> significantly affects the melting point, specific heat capacity, and thermal conductivity, but has negligible effects on the decomposition temperature, viscosity, density, and thermal stability. Notably, the thermal conductivity, which exhibits the highest sensitivity to NO<sub>2</sub><sup>−</sup>, decreases by 23.1 %, even at a low NO<sub>2</sub><sup>−</sup> concentration of 0.5 wt%. For impurity concentrations greater than 2.0 wt%, the melting point and specific heat capacity decline significantly, for instance by 21 °C and 26.1 %, respectively, at 6.0 wt% NO<sub>2</sub><sup>−</sup>. Advanced characterization (X-ray diffraction, Raman and Fourier transform infrared spectroscopy, and scanning electron microscopy) reveals that NO<sub>2</sub><sup>−</sup> induces significant microstructural reorganization within the molten salt system. Based on these findings, we recommend maintaining a NO<sub>2</sub><sup>−</sup> concentration of &lt;2.0 wt% to ensure optimal stability in terms of the thermophysical properties.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114017"},"PeriodicalIF":6.3,"publicationDate":"2025-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
CuxTi1-xO2 buffer layers in VO2–based smart windows – a viable compromise towards large-scale industrial production 基于vo2的智能窗口中的CuxTi1-xO2缓冲层-面向大规模工业生产的可行折衷方案
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-18 DOI: 10.1016/j.solmat.2025.114016
Hao Lu, Martin Becker, Jan Luka Dornseifer, Angelika Polity, Peter J. Klar
{"title":"CuxTi1-xO2 buffer layers in VO2–based smart windows – a viable compromise towards large-scale industrial production","authors":"Hao Lu,&nbsp;Martin Becker,&nbsp;Jan Luka Dornseifer,&nbsp;Angelika Polity,&nbsp;Peter J. Klar","doi":"10.1016/j.solmat.2025.114016","DOIUrl":"10.1016/j.solmat.2025.114016","url":null,"abstract":"<div><div>The use of rutile copper titanium oxide (Cu<sub><em>x</em></sub>Ti<sub>1-<em>x</em></sub>O<sub>2</sub>) as a buffer layer for the low-temperature growth of thermochromic vanadium dioxide is investigated. Specifically, this study examines how incorporating copper influences the structural and optical properties of titanium dioxide. On the one hand, its incorporation yields alloy formation and lowers the transition temperature of the anatase-to-rutile phase transition, enabling rutile Cu<sub><em>x</em></sub>Ti<sub>1-<em>x</em></sub>O<sub>2</sub> to be formed in the sputtering deposition process at temperatures as low as 200 °C, compared to the minimum of 600 °C required for rutile TiO<sub>2</sub>. However, on the other hand, the optical transparency of Cu<sub><em>x</em></sub>Ti<sub>1-<em>x</em></sub>O<sub>2</sub> in the visible range of the electromagnetic spectrum decreases with increasing Cu content. A tri-layer structure consisting of a Cu<sub><em>x</em></sub>Ti<sub>1-<em>x</em></sub>O<sub>2</sub> buffer layer, a thermochromic VO<sub>2</sub> layer, and an anatase TiO<sub>2</sub> antireflection coating is designed and grown, and its thermochromic key parameters are studied. The performance is almost as good as that of a tri-layer structure where rutile TiO<sub>2</sub> is used as the buffer layer. Therefore, using a rutile Cu<sub><em>x</em></sub>Ti<sub>1-<em>x</em></sub>O<sub>2</sub> buffer layer allows VO<sub>2</sub>-based multilayer structures for advanced thermochromic applications to be grown at deposition temperatures approaching those compatible with industrial sputtering apparatuses.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114016"},"PeriodicalIF":6.3,"publicationDate":"2025-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Carrier mobility in crystalline germanium at high injection: experimental characterization of carrier-carrier scattering 高注入下晶体锗中的载流子迁移率:载流子-载流子散射的实验表征
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-17 DOI: 10.1016/j.solmat.2025.114011
Moisés Garín , Mansur Gamel , Marko Yli-Koski , Ville Vähänissi , Gerard Rivera , Hele Savin , Isidro Martín
{"title":"Carrier mobility in crystalline germanium at high injection: experimental characterization of carrier-carrier scattering","authors":"Moisés Garín ,&nbsp;Mansur Gamel ,&nbsp;Marko Yli-Koski ,&nbsp;Ville Vähänissi ,&nbsp;Gerard Rivera ,&nbsp;Hele Savin ,&nbsp;Isidro Martín","doi":"10.1016/j.solmat.2025.114011","DOIUrl":"10.1016/j.solmat.2025.114011","url":null,"abstract":"<div><div>The decay of the sum of electron and hole mobilities, <em>μ</em><sub>s</sub> = <em>μ</em><sub>n</sub>+<em>μ</em><sub>p</sub>, due to carrier-carrier scattering was experimentally investigated in crystalline germanium (Ge) at high-injection conditions. Contactless measurements of the mobility sum as a function of the excess carrier density (Δ<em>n</em>) in Ge were obtained using photoconductance decay methods. First, the measurement method was revised and improvements were introduced to ensure that <em>μ</em><sub>s</sub>(Δ<em>n</em>) could be obtained for independent samples with improved accuracy. This method is successfully validated with crystalline silicon and, then, applied to Ge samples of different doping types and resistivity. The analysis of the data suggests that the mobility decay at high injection levels cannot be properly explained with the usual assumption of equal cross section for carrier-carrier and carrier-ion scattering events. Instead, we find the mobility sum due to carrier-carrier scattering to be inversely proportional to Δ<em>n</em> according to the expression 8 × 10<sup>20</sup>·Δ<em>n</em><sup>−1</sup> cm<sup>2</sup>V<sup>−1</sup>s<sup>−1</sup>. The limitations and potential error sources of the measurement method are discussed and, finally, the mobility model is used to improve lifetime analysis at high injection, allowing to estimate the ambipolar Auger recombination coefficient at <em>C</em><sub>amb</sub> = 7 × 10<sup>−31</sup> cm<sup>6</sup>s<sup>−1</sup>.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114011"},"PeriodicalIF":6.3,"publicationDate":"2025-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Resistivity distribution and donor properties of antimony-doped n-type Czochralski silicon ingots 掺锑n型奇克拉尔斯基硅锭的电阻率分布及施主性质
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-16 DOI: 10.1016/j.solmat.2025.114018
Rabin Basnet , Chirag Mule , Wei Han , Nannan Fu , Afsaneh Kashizadeh , P. Craig Taylor , Sumit Agarwal , Yichun Wang , Paul Stradins , Daniel Macdonald
{"title":"Resistivity distribution and donor properties of antimony-doped n-type Czochralski silicon ingots","authors":"Rabin Basnet ,&nbsp;Chirag Mule ,&nbsp;Wei Han ,&nbsp;Nannan Fu ,&nbsp;Afsaneh Kashizadeh ,&nbsp;P. Craig Taylor ,&nbsp;Sumit Agarwal ,&nbsp;Yichun Wang ,&nbsp;Paul Stradins ,&nbsp;Daniel Macdonald","doi":"10.1016/j.solmat.2025.114018","DOIUrl":"10.1016/j.solmat.2025.114018","url":null,"abstract":"<div><div>We investigate antimony (Sb)-doped Czochralski-grown silicon as an alternative <em>n</em>-type substrate for photovoltaic applications, and characterize their axial resistivity distribution, donor properties, and mechanical strength. We find that Sb-doped ingots can achieve a more uniform resistivity distribution along the axial direction compared to P-doped counterparts. Dopant concentration profiles in P-doped ingots can be accurately modelled using the standard Scheil's equation, accounting only for dopant segregation during solidification. In contrast, modelling Sb-doped ingots requires consideration of both dopant segregation and evaporation effects to fit the dopant distribution accurately. Using electron paramagnetic resonance spectroscopy at 9 K, we observe two hyperfine lines in P-doped samples, and six hyperfine lines for Sb<sup>121</sup> and eight for Sb<sup>123</sup> isotopes, with the number of hyperfine lines governed by the nuclear spins. We further identify two-atom Sb clustering in the Sb-doped wafers, confirmed through simulations of the additional weak electron paramagnetic resonance peaks. Finally, we find that 140 μm as-cut planar Sb-doped wafers exhibit slightly higher mechanical strength compared to P-doped wafers.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114018"},"PeriodicalIF":6.3,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stepwise dual-Cu-salt etching for high-uniformity inverted pyramid texturization: Anion-mediated regulation 逐步双铜盐蚀刻高均匀性倒金字塔织构:阴离子介导的调节
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-16 DOI: 10.1016/j.solmat.2025.114014
Yiwen Zhang , Wei Chen , Xiaolong Du
{"title":"Stepwise dual-Cu-salt etching for high-uniformity inverted pyramid texturization: Anion-mediated regulation","authors":"Yiwen Zhang ,&nbsp;Wei Chen ,&nbsp;Xiaolong Du","doi":"10.1016/j.solmat.2025.114014","DOIUrl":"10.1016/j.solmat.2025.114014","url":null,"abstract":"<div><div>In this work, we proposed a stepwise dual-Cu-salt etching system for metal-assisted chemical etching (MACE) to achieve highly uniform inverted pyramid textures on silicon surfaces. Through comparative analysis of Cu(NO<sub>3</sub>)<sub>2</sub>-assisted chemical etching (ACE) and CuSO<sub>4</sub>-ACE systems, we identified a critical trade-off: Cu(NO<sub>3</sub>)<sub>2</sub>-ACE produced non-uniform morphologies due to hindered copper nanoparticle deposition, while CuSO<sub>4</sub>-ACE produced homogeneous yet shallow inverted pyramid structures. Based on mechanistic analysis of the underlying chemical reactions, we resolved this conflict through a stepwise method including initial uniform nucleation points with subsequent deep vertical etching. Consequently, the texturing structures obtained via stepwise dual-Cu-salt etching exhibited superior uniformity, enhanced light-trapping capability, and reduced surface reflectance.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114014"},"PeriodicalIF":6.3,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323870","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Necessity for recycling photovoltaic glass: Managing resource constraints and environmental impacts of antimony in terawatt scale photovoltaics 回收光伏玻璃的必要性:管理资源约束和太瓦规模光伏中锑的环境影响
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-15 DOI: 10.1016/j.solmat.2025.114012
Piyal Chowdhury , Tamal Chowdhury , Hemal Chowdhury , Richard Corkish , Nathan L. Chang
{"title":"Necessity for recycling photovoltaic glass: Managing resource constraints and environmental impacts of antimony in terawatt scale photovoltaics","authors":"Piyal Chowdhury ,&nbsp;Tamal Chowdhury ,&nbsp;Hemal Chowdhury ,&nbsp;Richard Corkish ,&nbsp;Nathan L. Chang","doi":"10.1016/j.solmat.2025.114012","DOIUrl":"10.1016/j.solmat.2025.114012","url":null,"abstract":"<div><div>Terawatt-scale photovoltaic (PV) deployment, with an annual installation of 3.4 TW, is essential to combat climate change. However, manufacturing this amount of PV requires a critical evaluation of material demands, particularly antimony (Sb), which is widely used in PV glass production. Our study focuses on two key aspects: the resource constraints of Sb for terawatt-scale PV deployment and the mitigation of its environmental impacts. We find that supporting 3.4 TW/year of PV deployment would require approximately 0.42 million tonnes (Mt) of Sb annually, which is more than five times the current global production. Current Sb reserves could sustain the PV glass industry for only about five years, highlighting the urgent need to address resource limitations. Recycling broken PV glass (cullet) offers a partially sustainable solution by reducing dependence on virgin Sb and extending the lifespan of existing reserves. Our analysis indicates that, under moderate collection and recycling assumptions and using realistic Sb-recovery efficiencies (30–60 %), recycling of end of life (EOL) PV glass cullet could supply only <strong>∼</strong>2–11 % of annual Sb demand for PV glass, underscoring that the majority of Sb will still need to come from primary production and that cullet recycling alone cannot close the supply gap. Reuse of whole glass provides an additional pathway to ease pressure on virgin Sb while also addressing environmental concerns, such as Sb leaching into soil and groundwater from landfilled PV glass. Existing methods such as hot-knife and water-jet processes can recover intact glass, which can then be reused in the manufacturing of new PV modules.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114012"},"PeriodicalIF":6.3,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Predicting photovoltaic efficiency of two-dimensional Janus materials for applications in solar energy harvesting: A combined first-principles and machine learning study 预测二维Janus材料在太阳能收集中的光伏效率:结合第一性原理和机器学习研究
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-15 DOI: 10.1016/j.solmat.2025.114010
Swarup Ghosh
{"title":"Predicting photovoltaic efficiency of two-dimensional Janus materials for applications in solar energy harvesting: A combined first-principles and machine learning study","authors":"Swarup Ghosh","doi":"10.1016/j.solmat.2025.114010","DOIUrl":"10.1016/j.solmat.2025.114010","url":null,"abstract":"<div><div>The present paper reports a combined first-principles density functional theory (DFT) and machine learning (ML) study to predict the photovoltaic efficiency of two-dimensional Janus materials. Initially, the electronic and optical properties of four Janus systems Sc<sub>2</sub>CFBr, Sc<sub>2</sub>CFCl, Sc<sub>2</sub>CHCl and Sc<sub>2</sub>CHF are investigated using DFT. All four compounds exhibit indirect semiconducting behaviour with HSE06 band gaps ranging from 1.61 to 1.88 eV and strong visible light absorption. The associated average charge density, effective mass of charge carriers, and exciton binding energy have also been estimated. The photovoltaic performance parameters including short-circuit current density, open-circuit voltage, fill factor, and maximum power density highlight maximum photovoltaic efficiency (<span><math><mrow><msub><mi>η</mi><mi>max</mi></msub></mrow></math></span>) for Sc<sub>2</sub>CFBr (23.83 %) followed by Sc<sub>2</sub>CFCl (20.22 %), Sc<sub>2</sub>CHCl (19.41 %), and Sc<sub>2</sub>CHF (17.96 %) compounds. Extending the analysis, a dataset of 562 Janus materials is screened and refined to 343 candidates with optimal photovoltaic band gaps through confusion matrix analysis. Correlation between key feature descriptors and target variable <span><math><mrow><msub><mi>η</mi><mi>max</mi></msub></mrow></math></span> have been extracted using Pearson correlation heatmap. Ten ML algorithms, including five deep learning and five shallow learning models, are employed. The hybrid model integrating Convolutional Neural Network and Kernel Ridge Regressor exhibits superior predictive performance of <span><math><mrow><msub><mi>η</mi><mi>max</mi></msub></mrow></math></span> with R<sup>2</sup> values 0.96 (training) and 0.95 (testing). This study demonstrates the efficacy of ML, especially deep-shallow unified model, in predicting <span><math><mrow><msub><mi>η</mi><mi>max</mi></msub></mrow></math></span> of Janus materials which may bear promising applications towards next-generation high-efficiency and sustainable photovoltaics.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"295 ","pages":"Article 114010"},"PeriodicalIF":6.3,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145323865","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive review of photovoltaic paste: Materials, processing, and performance optimization 光伏浆料综合综述:材料、加工、性能优化
IF 6.3 2区 材料科学
Solar Energy Materials and Solar Cells Pub Date : 2025-10-15 DOI: 10.1016/j.solmat.2025.114013
Shengnan Lin , Xiaocai He , Huixian Shi , Qiugu He , Jie Yuan , Jianfeng Duan , Jiuyang Ren , Jinyue Liu
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