Solar Energy Materials and Solar Cells最新文献_第3页

A comprehensive updated research progress of key technologies of linear concentrated solar power from material to application

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-13 DOI: 10.1016/j.solmat.2025.113492

Xinyu Wang , Chao Zhang , Cancan Zhang , Hexin Sun , Yuting Wu

{"title":"A comprehensive updated research progress of key technologies of linear concentrated solar power from material to application","authors":"Xinyu Wang , Chao Zhang , Cancan Zhang , Hexin Sun , Yuting Wu","doi":"10.1016/j.solmat.2025.113492","DOIUrl":"10.1016/j.solmat.2025.113492","url":null,"abstract":"<div><div>Solar energy is an important renewable energy and will play a significant role in future global electricity production. A comprehensively review overview of linear concentrated solar power is studied which is a unique technique that includes parabolic trough collector and linear Fresnel reflector. Some crucial aspects have been summarized and prospected on concentrating system, heat collecting system and heat storage system. Research on concentrating system includes the mirror field of parabolic trough collector, primary mirror field and secondary concentrators of linear Fresnel reflector. Research on heat collecting system includes inner collector coating, heat transfer fluid and enhanced heat transfer technology. Research on heat storage system includes heat storage molten salt and storage tank. Lastly, the potential research directions and future research hotspots of these technologies are prospected. The mirror field structure should be optimized the distribution of surface energy flux density on the collector tube in parabolic trough collector, while in linear Fresnel reflector improve the optical efficiency. Molten salt is one of the best heat transfer fluid for high temperature power generation in the concentrated solar power system. Inserts, fins and shaped tubes are used to enhance heat transfer for collector. Developing molten salt with a wider working temperature range and more stable physical and chemical properties is a hot research direction.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"285 ","pages":"Article 113492"},"PeriodicalIF":6.3,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395134","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

Using binary-eutectic phase change materials and ZnO/aluminum nitride nanofillers to improve photovoltaic efficiency

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-12 DOI: 10.1016/j.solmat.2025.113490

Neda Azimi , Esmail Sharifzadeh

{"title":"Using binary-eutectic phase change materials and ZnO/aluminum nitride nanofillers to improve photovoltaic efficiency","authors":"Neda Azimi , Esmail Sharifzadeh","doi":"10.1016/j.solmat.2025.113490","DOIUrl":"10.1016/j.solmat.2025.113490","url":null,"abstract":"<div><div>This study examines the effectiveness of binary-eutectic phase change materials (BE-PCMs) for controlling the surface heat of PV panels. Comprising petroleum jelly, beeswax, and ZnO/aluminum nitride (AlN) nanoparticles, five PCMs are synthesized—PCM#a through PCM#e—with beeswax to petroleum jelly volume ratios of 5 %/95 %, 10 %/90 %, 15 %/85 %, 20 %/80 %, and 25 %/75 %. The primary objective is to enhance temperature regulation and electric efficiency of PV panel by BE-PCMs, which its performance optimized using Response Surface Methodology. The effects of beeswax volume fraction in petroleum jelly (x<sub>1</sub> = 5–25 %), weight ratio of ZnO to AlN (x<sub>2</sub> = 0.2–1), and ZnO/AlN nanoparticle weight fraction (x<sub>3</sub> = 0–10%wt) are evaluated. Results indicated that BE-PCMs lowered the PV panel's maximum temperature from 61.84 °C to 47.65 °C, compared to a reduction to 53.97 °C with BE-PCM alone. The optimal volume fractions of beeswax and petroleum jelly were found to be 13.86 % and 86.14 %, respectively; when beeswax exceeded 13.86 %, PV temperature increased. Furthermore, x<sub>3</sub> values of 8–10 % yielded the lowest temperature and highest electrical efficiency. Specifically, BE-PCMs with x<sub>3</sub> = 8.77%wt and x<sub>2</sub> = 0.574 achieved a peak electrical efficiency of 12.98 % and a power output of 7.79 W.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113490"},"PeriodicalIF":6.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395109","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

Thermal integration of direct-indirect thermochemical reactors and charging-discharging thermal management strategies for solar thermal storage systems

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-12 DOI: 10.1016/j.solmat.2025.113485

Huijin Xu , Hangfei Xu , Guojun Yu , Xiaofeng Xu , Fuqiang Wang

{"title":"Thermal integration of direct-indirect thermochemical reactors and charging-discharging thermal management strategies for solar thermal storage systems","authors":"Huijin Xu , Hangfei Xu , Guojun Yu , Xiaofeng Xu , Fuqiang Wang","doi":"10.1016/j.solmat.2025.113485","DOIUrl":"10.1016/j.solmat.2025.113485","url":null,"abstract":"<div><div>The integration of solar thermal energy into energy systems necessitates efficient thermal storage technologies. This study focuses on the development of a combined direct-indirect thermochemical reactor using the Ca(OH)<sub>2</sub>/CaO system, aimed at enhancing heat transfer and optimizing the thermal charging/discharging processes. A multi-physics model incorporating fluid flow, heat transfer, mass transfer, and chemical reaction was established to analyze the dehydration and hydration reactions under varying conditions. The systematic investigation of the effects of key parameters, including porosity and thermal conductivity, on reaction efficiency was conducted. Specifically, increasing the thermal conductivity from 2 W/m·K to 4 W/m·K reduced the reaction time by 40 min. Additionally, enhancing the porosity from 0.6 to 0.8 led to a reduction in reaction time by 30 min. Furthermore, the utilization of metal foams and heat sinks to augment heat transfer significantly improved reactor performance. The implementation of metal foam decreased the reaction time from 100 min to 60 min (a 40 % improvement), while the addition of fins resulted in approximately a 50 % increase in efficiency. These findings underscore the importance of material properties and reactor design in enhancing the performance of thermochemical energy storage systems, offering valuable insights for future applications in solar thermal energy utilization.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113485"},"PeriodicalIF":6.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387606","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

Scale effect on thermal properties and phase transition characteristics of the ZnCl2-NaCl-KCl mixed chloride salt

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-12 DOI: 10.1016/j.solmat.2025.113494

Haitao Zhang , Hailong Kang , Shuang Ma , Qirong Yang , Youping Li , Chenxuan Yan , Xinsong Wang , Yong Dong

{"title":"Scale effect on thermal properties and phase transition characteristics of the ZnCl2-NaCl-KCl mixed chloride salt","authors":"Haitao Zhang , Hailong Kang , Shuang Ma , Qirong Yang , Youping Li , Chenxuan Yan , Xinsong Wang , Yong Dong","doi":"10.1016/j.solmat.2025.113494","DOIUrl":"10.1016/j.solmat.2025.113494","url":null,"abstract":"<div><div>Composite chloride salts have become molten salt heat storage materials with high development potential due to their excellent heat storage performance. Since chloride salts are prone to leakage, they need to be adsorbed onto porous materials to prepare composite phase change materials (CPCMs). Changes in the pore size of porous materials will lead to changes in the scale of chloride salts. Currently, there is little research on the impact of scale variation on the thermophysical and phase change characteristics of composite chloride salts, and the underlying mechanisms are not yet clear. With the ZnCl<sub>2</sub>-NaCl-KCl (3:1:1 mol%) eutectic salt as the phase change material (PCM), this study integrates molecular dynamics (MD) simulation with an experimental approach to investigate the impact of scale on the thermophysical properties and phase change properties of CPCM. The inherent influence mechanism of scale effect is analyzed from a microscopic perspective. The results indicate that as the scale increases, the interaction energy between molecules within the system gradually increases, and the system structure becomes more compact. The thermal conductivity first increases and then decreases, reaching a maximum of 0.45 W/(m·K) at 8 nm; the volumetric thermal expansion coefficient gradually decreases. As the scale increases from 3 nm to 15 nm, the melting temperature rises by 8.1 %, while the solidification temperature decreases by 1.73 %, resulting in a significant increase in the degree of supercooling. The latent heat gradually increases with scale, which is consistent with the coordination number.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113494"},"PeriodicalIF":6.3,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143387607","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

Facile surface modification process of Sn-doped In2O3 electron transport layer for enhanced perovskite solar cell performance

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-11 DOI: 10.1016/j.solmat.2025.113481

Ramarajan Ramanathan , Michael Zinigrad , K. Arjunan , K. Ravichandran , Harish C. Barshilia , Ramesh Chandra Mallik

{"title":"Facile surface modification process of Sn-doped In2O3 electron transport layer for enhanced perovskite solar cell performance","authors":"Ramarajan Ramanathan , Michael Zinigrad , K. Arjunan , K. Ravichandran , Harish C. Barshilia , Ramesh Chandra Mallik","doi":"10.1016/j.solmat.2025.113481","DOIUrl":"10.1016/j.solmat.2025.113481","url":null,"abstract":"<div><div>Perovskite solar cell (PSC) devices have achieved a tremendous amount of attention because of their facile fabrication process, high efficiency, and cost-effectiveness. This research mainly focuses on providing a solvent-based surface modification process of Tin-doped Indium Oxide (Sn-doped In<sub>2</sub>O<sub>3</sub>; Sn-In<sub>2</sub>O<sub>3</sub>) based electron transport layer (ETL) for PSC's fabrication. The ETL layer should exhibit good optical transparency and electrical conductivity in planner-structured PSC devices for better performance. Pristine and surface-modified Sn-In<sub>2</sub>O<sub>3</sub> thin films-based ETLs were prepared by facile spray pyrolysis technique. A solvent-based surface modification process has been carried out to control the grain boundary effect on the charge transfer process of Sn-In<sub>2</sub>O<sub>3</sub> film. The surface modification process's impact on the structural, surface morphology, surface charge state, optical, and electrical properties of Sn-In<sub>2</sub>O<sub>3</sub> thin films was used to investigate the power conversion efficiency (PCE) of the developed PSCs. The glancing angle X-ray diffraction (GAXRD), X-ray photoelectron spectroscopy (XPS), Field Emission Scanning Electron Microscopy (FE-SEM), AFM, Ultra-Violet visible and Near Infra-Red (UV–Vis–NIR and Hall measurements confirm the significant variation of Sn-In<sub>2</sub>O<sub>3</sub> films based on the surface modification process. A surface-modified Sn-In<sub>2</sub>O<sub>3</sub> thin film-based ETL-used PSC device demonstrated a maximum efficiency of 14.3 %, whereas a pristine-based Sn-In<sub>2</sub>O<sub>3</sub> thin film showed a maximum efficiency of 7.2 %. The results obtained indicate that surface-modified spray-deposited Sn-In<sub>2</sub>O<sub>3</sub> thin film can be a suitable candidate to serve as an ETL for PSC device fabrication.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113481"},"PeriodicalIF":6.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143378754","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

A versatile optical-electrical-thermal simulation framework for photovoltaic devices integrating ray tracing and conversion losses

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-11 DOI: 10.1016/j.solmat.2025.113489

Tao Ma , Tao Li , Kun Yu , Sinan Li , Jinqing Peng , Zhengrong Shi

{"title":"A versatile optical-electrical-thermal simulation framework for photovoltaic devices integrating ray tracing and conversion losses","authors":"Tao Ma , Tao Li , Kun Yu , Sinan Li , Jinqing Peng , Zhengrong Shi","doi":"10.1016/j.solmat.2025.113489","DOIUrl":"10.1016/j.solmat.2025.113489","url":null,"abstract":"<div><div>Investigating the photoelectrical conversion principles of photovoltaic devices in-depth for efficiency improvement has always been a subject under intense heat discussions. Numerical simulation, serving as a rapid, cost-efficient, and effective method, holds the potential to disclose the entire intricate physical process. Numerous diverse mathematical models have been proposed in the literature for investigation, while the actual circumstances are highly complicated, and comprehensive analysis remains arduously challenging due to various impediments. Herein, we present a versatile simulation framework for photovoltaic (PV) devices. By integrating Monte Carlo ray tracing, equivalent circuit and layered thermal resistance models, it aims to realize optical-electrical-thermal coupling simulation, and meanwhile the conversion loss mechanism is also considered, facilitating an in-depth investigation into the comprehensive performances of PV devices. The findings of this study reveal that, for a typical HJT PV module, the photogenerated current density can attain 32.97 mA/cm<sup>2</sup> under normal incidence, and the conversion efficiency peaks at 23.8 % with a fill factor of 82.2 % under standard test condition (STC). Moreover, when the module operates under nominal operating cell temperature (NOCT) conditions, the operating temperature will ascend to 41.1 °C and the efficiency will decline to 21.75 %. The module absorbs 683.02 W/m<sup>2</sup> incident energy with one-third contributed by the inactive materials, and about 64 % of the total incident irradiance is converted into heat, thus only approximately a quarter of the total absorbed energy is the effective output (174 W/m<sup>2</sup>), with the thermalization and angle-mismatch being the two dominant energy losses in the photoelectrical conversion process, accounting for 23 % and 10.8 % respectively.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113489"},"PeriodicalIF":6.3,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143378755","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

Effectively synthesized plasmonic-magnetic Ag@Fe3O4 selective absorbing nanofluid for spectral beam splitting in full spectrum utilization

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-10 DOI: 10.1016/j.solmat.2025.113491

Yue Jiao , Meibo Xing , Xianzhe Ding , Ning Zhang

{"title":"Effectively synthesized plasmonic-magnetic Ag@Fe3O4 selective absorbing nanofluid for spectral beam splitting in full spectrum utilization","authors":"Yue Jiao , Meibo Xing , Xianzhe Ding , Ning Zhang","doi":"10.1016/j.solmat.2025.113491","DOIUrl":"10.1016/j.solmat.2025.113491","url":null,"abstract":"<div><div>The development of effectively selective absorbing nanofluid holds significant importance for advancing full spectrum utilization, particularly in spectral beam splitting applications. This innovative material combines the unique properties of plasmonic Ag and magnetic Fe<sub>3</sub>O<sub>4</sub>, enabling efficient energy absorption and manipulation across a wide range of wavelengths, thereby enhancing the performance of optoelectronic devices and energy harvesting systems. In this work, the prepared Ag@Fe<sub>3</sub>O<sub>4</sub> nanoparticle was suspended in the water and ethylene glycol mixture with addition of methylene blue to form the plasmonic-magnetic nanofluid. This selective absorbing nanofluid was introduced into the photovoltaic/thermal (PV/T) systems to realize spectrum beam splitting utilization by photovoltaic conversion and photothermal conversion, respectively. The effect of methylene blue and nanoparticle concentrations on the optical properties and solar energy conversion properties was investigated. The results show the higher methylene blue and nanoparticle concentration enhances the thermal efficiency but reduces the electricity efficiency, of which the effect of nanoparticle concentration is more obvious due to the surface plasmon resonance of Ag. The splitting nanofluid with 50 ppm nanoparticle and 40 ppm methylene blue concentration had optimal function of merit at 2.11, solar energy comprehensive conversion efficiency at 78.05 %, and heat-to-electricity ratio at 7.92. Additionally, an external magnetic field was added to further enhance the solar energy comprehensive utilization efficiency by modulate the distribution behavior of plasmonic-magnetic nanoparticles. As a result, the solar energy conversion comprehensive efficiency and function of merit could be elevated to 84.70 % and 2.32 respectively under the action of magnetic field with 50 mT.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113491"},"PeriodicalIF":6.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143378753","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

Is there a crisis in the smart glass industry?

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-10 DOI: 10.1016/j.solmat.2025.113487

Alexander Kraft

引用次数: 0

Correlation between damp-heat test and field operation for electrode corrosion in photovoltaic modules

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-10 DOI: 10.1016/j.solmat.2024.113375

Junpei Irikawa, Haruhisa Hashimoto, Hiroshi Kanno, Mikio Taguchi

{"title":"Correlation between damp-heat test and field operation for electrode corrosion in photovoltaic modules","authors":"Junpei Irikawa, Haruhisa Hashimoto, Hiroshi Kanno, Mikio Taguchi","doi":"10.1016/j.solmat.2024.113375","DOIUrl":"10.1016/j.solmat.2024.113375","url":null,"abstract":"<div><div>In order to determine the correlation between damp-heat test and field exposure, the degradation mode related to corrosion in photovoltaic modules was investigated in detail based on the change in acetic acid concentration in the ethylene-vinyl acetate encapsulant on the light-receiving side and power retention rate during combination tests that varied temperature, relative humidity, and a new factor, the light intensity.</div><div>The estimated activation energy for acetic acid generation was relatively high at 0.65 eV in the absence of light; however, it decreased to 0.08 eV under illumination. The correspondence between damp-heat test and field exposure was approximately equivalent to 1000 h of damp-heat test and 3–6 years of field exposure in humid areas. The relationship between the acetic acid concentration and the recovered power retention rate was approximately −0.002% per μg/g, even for modules with high acetic acid resistance. This suggests that an acetic acid concentration of 10000 μg/g can serve as a benchmark for the power lifetime, at which point the power falls below 80%.</div><div>The power transition prediction was derived from a combination of acetic acid concentration prediction and this relationship. In climates hotter and more humid than Cfa classification, the lifetime is anticipated to be within 20 years, if no efforts are made to improve the reliability of the cell or encapsulant. For long-term reliability of modules operated in humid regions, the use of a single polyolefin layer as the light-receiving side encapsulant or appropriate assessment by the acceleration test is required.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"284 ","pages":"Article 113375"},"PeriodicalIF":6.3,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface engineering for enhanced perovskite solar cells: Fullerene-mediated trap state formation on CsPbI3 (001) surface

IF 6.3 2区材料科学

Solar Energy Materials and Solar Cells Pub Date : 2025-02-08 DOI: 10.1016/j.solmat.2025.113441

Gibu George , Dmitry I. Sharapa , Anton J. Stasyuk , Albert Poater , Miquel Solà , Sergio Posada-Pérez

{"title":"Surface engineering for enhanced perovskite solar cells: Fullerene-mediated trap state formation on CsPbI3 (001) surface","authors":"Gibu George , Dmitry I. Sharapa , Anton J. Stasyuk , Albert Poater , Miquel Solà , Sergio Posada-Pérez","doi":"10.1016/j.solmat.2025.113441","DOIUrl":"10.1016/j.solmat.2025.113441","url":null,"abstract":"<div><div>Photovoltaic technology, particularly perovskite solar cell (PSC) materials, has emerged as a promising avenue due to their excellent light-absorbing properties. Despite significant progress in PSC technology, defects within the perovskite material continue to pose challenges, leading to reduced efficiency and stability of the devices. CsPbI<sub>3</sub> perovskites have shown potential, but trap states induced by surface defects remain a challenge. The use of fullerene derivatives, like C<sub>60</sub> and PC<sub>61</sub>BM, has been highlighted to enhance device stability, eliminate/reduce hysteresis, and passivate trap states. However, the mechanisms behind fullerene-induced passivation of trap states and their impact on surface energetics remain unclear. This study employs periodic density functional theory (DFT) simulations to explore the interaction between C<sub>60</sub>, PC<sub>61</sub>BM with CsPbI<sub>3</sub> (001) surface with and without defects (cesium vacancy, lead vacancy, and I-antisite). The DFT simulations reveal that both C<sub>60</sub> and PC<sub>61</sub>BM effectively passivate trap states induced by I-antisite defects by reorienting and reorganizing the iodine atoms that promote the presence of trap states. This work contributes to understanding the fundamental aspects of surface-defect interactions in CsPbI<sub>3</sub> perovskites. Both C<sub>60</sub> and PC<sub>61</sub>BM play a crucial role in passivating trap states, causing atomic reorganization and avoiding the nonradiative recombination. The findings provide valuable insights into mechanisms for trap state passivation by fullerene derivatives, paving the way for further research to enhance PSC performance.</div></div>","PeriodicalId":429,"journal":{"name":"Solar Energy Materials and Solar Cells","volume":"283 ","pages":"Article 113441"},"PeriodicalIF":6.3,"publicationDate":"2025-02-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143350780","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