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Comprehensive optimization of a-Si: H p-i-n structures for enhanced energy harvesting 增强能量收集的a-Si: H - p-i-n结构的综合优化
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-28 DOI: 10.1007/s40243-025-00342-6
Soni Prayogi, A. Muhammad

Enhancing the energy conversion efficiency of hydrogenated amorphous silicon (a-Si: H) solar cells remains a key objective in advancing thin-film photovoltaic technology. This study presents a comprehensive numerical optimization of a-Si: H p-i-n solar cells using the OghmaNano simulation platform under standard AM1.5G illumination (100 mW/cm2). The modeling accounts for Shockley–Read–Hall (SRH) recombination, carrier mobility, and field-dependent generation to ensure physical accuracy. The investigation focused on simultaneous optimization of the intrinsic layer thickness (100–600 nm) and bandgap tuning (1.6–1.95 eV) to determine their combined influence on device performance. Results revealed that the trade-off between open-circuit voltage (Voc) and short-circuit current (Jsc) is governed by the balance between enhanced light absorption and increased carrier recombination. An intrinsic layer thickness of 200 nm and bandgap of 1.95 eV yielded the optimal configuration, achieving a simulated efficiency of 11.27%. This value aligns with experimental benchmarks when idealized conditions are considered. The findings confirm that dual-parameter optimization combining geometrical and electronic tuning can substantially improve carrier collection and energy conversion efficiency. Compared with previous studies, the proposed design demonstrates superior performance and provides clear guidelines for the structural engineering of high-efficiency a-Si: H solar cells.

提高氢化非晶硅(a- si: H)太阳能电池的能量转换效率仍然是推进薄膜光伏技术的关键目标。本研究利用OghmaNano仿真平台,在标准AM1.5G光照(100 mW/cm2)下对a- si: H - p-i-n太阳能电池进行了全面的数值优化。建模考虑了Shockley-Read-Hall (SRH)重组、载流子迁移率和场相关生成,以确保物理精度。研究重点是同时优化本征层厚度(100-600 nm)和带隙调谐(1.6-1.95 eV),以确定它们对器件性能的综合影响。结果表明,开路电压(Voc)和短路电流(Jsc)之间的权衡是由光吸收增强和载流子复合增加之间的平衡决定的。当本征层厚度为200 nm,带隙为1.95 eV时,获得了最佳配置,模拟效率为11.27%。当考虑理想条件时,该值与实验基准一致。研究结果证实,几何调谐和电子调谐相结合的双参数优化可以显著提高载流子收集和能量转换效率。与以往的研究相比,所提出的设计具有优越的性能,为高效a-Si: H太阳能电池的结构工程提供了明确的指导。
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引用次数: 0
Recent progress in post-modified biochar-based material for supercapacitor applications: a review 后改性生物炭基材料在超级电容器中的应用进展
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00339-1
Ranjeet Kumar Mishra, D. Jaya Prasanna Kumar, Sampath Chinnam, Ravi Sankannavar, Abhishek Sharma, Kaustubha Mohanty

The escalating demand for efficient and sustainable energy storage solutions has spotlighted post-modified biochar materials as promising candidates for supercapacitor electrodes due to their high power density, rapid charge/discharge rates, and long-term stability. This review provides a comprehensive analysis of recent advancements in the synthesis, activation, and functionalization of biochar for supercapacitor applications. Various biomass sources, including agricultural and industrial wastes, have been pyrolysed or hydrothermally carbonised and further activated using agents such as KOH, NaOH, ZnCl₂, and H₃PO₄, achieving specific surface areas (SSA) as high as 3577 m²/g and pore volumes up to 2.3 cm³/g. The electrochemical performance is significantly enhanced through heteroatom doping (N, O, S, P) and metal oxide composite formation, leading to specific capacitances ranging from 252 F/g to 550 F/g and energy densities up to 45.69 Wh/kg. Further, surface modification improves wettability and electron transport while mesopore/hierarchical structures facilitate ion diffusion. The nitrogen-doped biochar demonstrated a specific capacitance of 420 F g− 1 at 1 A g− 1.m, whereas KOH-activated walnut shell-derived biochar exhibited 3577 m²/g SSA and 81% capacitance retention over 5000 cycles. Also, surface oxidation techniques have improved wettability and charge transfer, leading to excellent long-term cycling stability, with capacitance retention above 95% after 10,000 cycles. Owing to increased attention towards eco-friendly, viable, and scalable energy solutions, this article presents a thorough overview of the advanced techniques to treat biochar as supercapacitors. Challenges such as scalability, performance, and cost-effectiveness are presented, and a discussion of the future outlook for integrating biochar for sustainable energy storage is provided.

Graphical abstract

由于对高效和可持续能源存储解决方案的不断增长的需求,后改性生物炭材料因其高功率密度、快速充放电速率和长期稳定性而成为超级电容器电极的有前途的候选者。本文综述了生物炭在超级电容器应用中的合成、活化和功能化方面的最新进展。各种生物质资源,包括农业和工业废物,已经被热解或水热碳化,并使用KOH、NaOH、ZnCl₂和H₃PO₄等试剂进一步活化,实现了高达3577 m²/g的比表面积(SSA)和高达2.3 cm³/g的孔隙体积。通过杂原子掺杂(N, O, S, P)和金属氧化物复合材料的形成,电化学性能得到了显著提高,比电容从252 F/g到550 F/g,能量密度达到45.69 Wh/kg。此外,表面修饰改善了润湿性和电子传递,而介孔/分层结构促进了离子扩散。氮掺杂生物炭在1ag−1时的比电容为420 F g−1。而koh活化的核桃壳生物炭的SSA为3577 m²/g,在5000次循环中电容保持率为81%。此外,表面氧化技术改善了润湿性和电荷转移,从而实现了出色的长期循环稳定性,在10,000次循环后,电容保持率超过95%。由于人们越来越关注环保、可行和可扩展的能源解决方案,本文介绍了将生物炭作为超级电容器的先进技术的全面概述。提出了可扩展性、性能和成本效益等挑战,并讨论了整合生物炭用于可持续能源存储的未来前景。图形抽象
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引用次数: 0
Strategic integration of charge transport layers in novel Sr3AsI3 perovskite solar cells for enhanced photovoltaic performance 新型Sr3AsI3钙钛矿太阳能电池中电荷输运层的战略性集成以提高光伏性能
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00337-3
Muhammad Zulqarnain Abbasi, Shayan Tariq Jan, Haseeb Ahmad Khan, Muhammad Sheraz, Anees Ur Rehman, Wajahat Ullah Khan Tareen, Muhammad Abid Saeed, Teong Chee Chuah, Obaid Ur Rehman, Waleed Jan

Perovskite solar cells (PSCs) have gained immense interest as next-generation photovoltaics due to their impressive power conversion efficiencies (PCEs), ease of fabrication, and low production costs. Despite their potential, practical implementation is hindered by challenges such as interfacial recombination, suboptimal energy band alignment, and stability issues. This study addresses these challenges by investigating a novel perovskite-derived absorber material, Sr3AsI3, in combination with advanced charge transport layers (CTLs) to enhance device performance. Six distinct PSC configurations were systematically analyzed using polyethyleneimine ethoxylated (PEIE) and tungsten disulfide (WS2) as electron transport layers (ETLs), and copper-based oxides (Cu2O, SrCu2O2) and molybdenum disulfide (MoS2) as hole transport layers (HTLs). Initial configurations with 300-nm absorbers yielded PCEs in the range of 15.7–24.2%, depending on the CTL combination. A stepwise optimization was conducted by varying absorber thickness, absorber/CTL doping concentrations, and incorporating a reflective back surface. The most significant improvement resulted from increasing absorber thickness to 1200–1250 nm, which enhanced photocurrent collection. Optimized structures with absorber doping concentrations of 1 × 1017–1 × 1018 cm−3 delivered substantially improved efficiencies. Among all cases, the PEIE/Sr3AsI3/Cu2O and WS2/Sr3AsI3/Cu2O configurations achieved peak PCEs of 28.52% and 28.50%, with Voc of 0.91 V, Jsc of 35.7 mA/cm2, and FF of 87%. These findings demonstrate the effectiveness of absorber thickness and controlled doping optimization in Sr3AsI3-based PSCs, providing a robust framework for designing stable, high-efficiency perovskite photovoltaics for practical energy applications.

钙钛矿太阳能电池(PSCs)由于其令人印象深刻的功率转换效率(pce),易于制造和低生产成本而获得了下一代光伏电池的巨大兴趣。尽管它们具有潜力,但实际应用受到界面重组、次优能带对准和稳定性问题等挑战的阻碍。本研究通过研究一种新型钙钛矿衍生的吸收材料Sr3AsI3,结合先进的电荷传输层(ctl)来提高器件性能,从而解决了这些挑战。采用聚乙烯亚胺乙氧基化(PEIE)和二硫化钨(WS2)作为电子传输层(ETLs),铜基氧化物(Cu2O、SrCu2O2)和二硫化钼(MoS2)作为空穴传输层(HTLs),系统分析了6种不同的PSC构型。初始配置的300 nm吸收剂产生的pce在15.7-24.2%的范围内,取决于CTL组合。通过改变吸收体厚度、吸收体/CTL掺杂浓度和加入反射背表面进行了逐步优化。最显著的改进是将吸收体厚度增加到1200-1250 nm,从而增强了光电流的收集。当吸收剂掺杂浓度为1 × 1017-1 × 1018 cm−3时,优化结构的效率显著提高。其中,PEIE/Sr3AsI3/Cu2O和WS2/Sr3AsI3/Cu2O的峰值pce分别为28.52%和28.50%,Voc为0.91 V, Jsc为35.7 mA/cm2, FF为87%。这些发现证明了吸收剂厚度和可控掺杂优化在sr3asi3基PSCs中的有效性,为设计稳定、高效的钙钛矿光伏电池提供了一个强大的框架,用于实际能源应用。
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引用次数: 0
Exploring the photovoltaic potential of CsSbCl4 Dion Jacobson Perovskites through first-principle calculations and SCAPS simulations 通过第一线原理计算和SCAPS模拟探索CsSbCl4 Dion Jacobson钙钛矿的光伏潜力
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00336-4
Atta Ullah, Ibrar Ahmad, Adnan Sadiq, Muhammad Usman, Haris Haider, Muhammad Afzal, Khizar Hayat, Abdullah Shah, Zahir Shah, Narcisa Vrinceanu, Said Karim Shah

This work presents a comprehensive computational investigation of lead (Pb)-free CsSbCl4 Dion–Jacobson (DJ)-based perovskite solar cells (PSCs), combining density functional theory (DFT) and Solar Cell Capacitance Simulator (SCAPS 1-D) device simulations. The electronic and optical properties of CsSbCl4 were evaluated using two different exchange–correlation functionals, PBE-GGA and TB-mBJ. Notably, the band structure displays a direct bandgap of 1.395 eV with TB-mBJ, closely aligned with the Shockley–Queisser (SQ) limit, indicating the material’s suitability for high-performance photovoltaics. Projected density of states (PDOS) analysis revealed Sb s-states dominate the valence band (VB), and Sb 5p-states dominate the conduction band (CB), highlighting the central role of antimony in governing electronic transitions, while absorption spans the electromagnetic spectrum from UV to near IR, with a high absorption coefficient around 105 cm−1, ensuring efficient light harvesting. To optimize the solar cell architecture, key parameters were systematically tuned using SCAPS 1-D, including the selection of electron transport layer (ETL) and hole transport layer (HTL), absorber layer (AL) thickness, doping concentration (NA), and defect density (Nt) were varied to enhance device output. Further, the influence of external conditions like series resistance (Rs), shunt resistance (Rsh), operating temperatures (300–400 K), and solar irradiance on photovoltaic performance was rigorously investigated. After careful optimization, the simulated device achieved a high short-circuit current density (JSC) of 30.34 mA/cm2, an open-circuit voltage (VOC) of 1.04 V, a fill factor (FF) of 85.17%, and a power conversion efficiency (PCE) of 26.95%. Altogether, these findings not only underscore the potential of CsSbCl4 perovskite as a promising non-toxic Pb-free alternative but also provide a viable route toward the realization of high-efficiency next-generation photovoltaics.

本文结合密度泛函理论(DFT)和太阳能电池电容模拟器(SCAPS 1-D)器件模拟,对无铅CsSbCl4 Dion-Jacobson (DJ)钙钛矿太阳能电池(PSCs)进行了全面的计算研究。采用PBE-GGA和TB-mBJ两种不同的交换相关函数对CsSbCl4的电子和光学性质进行了评价。值得注意的是,该能带结构显示出与TB-mBJ的直接带隙为1.395 eV,与Shockley-Queisser (SQ)极限密切相关,表明该材料适合高性能光伏发电。投影态密度(PDOS)分析显示Sb s态主导价带(VB), Sb 5p态主导导带(CB),突出了锑在控制电子跃迁中的核心作用,而吸收跨越从紫外到近红外的电磁波谱,具有约105 cm−1的高吸收系数,确保了高效的光收集。为了优化太阳能电池结构,利用SCAPS 1-D系统调整了关键参数,包括电子传输层(ETL)和空穴传输层(HTL)的选择、吸收层(AL)厚度、掺杂浓度(NA)和缺陷密度(Nt)的变化,以提高器件输出。此外,还严格研究了串联电阻(Rs)、并联电阻(Rsh)、工作温度(300-400 K)和太阳辐照度等外部条件对光伏性能的影响。经过精心优化,模拟器件的短路电流密度(JSC)为30.34 mA/cm2,开路电压(VOC)为1.04 V,填充系数(FF)为85.17%,功率转换效率(PCE)为26.95%。总之,这些发现不仅强调了CsSbCl4钙钛矿作为一种有前途的无毒无铅替代品的潜力,而且为实现高效的下一代光伏发电提供了一条可行的途径。
{"title":"Exploring the photovoltaic potential of CsSbCl4 Dion Jacobson Perovskites through first-principle calculations and SCAPS simulations","authors":"Atta Ullah,&nbsp;Ibrar Ahmad,&nbsp;Adnan Sadiq,&nbsp;Muhammad Usman,&nbsp;Haris Haider,&nbsp;Muhammad Afzal,&nbsp;Khizar Hayat,&nbsp;Abdullah Shah,&nbsp;Zahir Shah,&nbsp;Narcisa Vrinceanu,&nbsp;Said Karim Shah","doi":"10.1007/s40243-025-00336-4","DOIUrl":"10.1007/s40243-025-00336-4","url":null,"abstract":"<div><p>This work presents a comprehensive computational investigation of lead (Pb)-free CsSbCl<sub>4</sub> Dion–Jacobson (DJ)-based perovskite solar cells (PSCs), combining density functional theory (DFT) and Solar Cell Capacitance Simulator (SCAPS 1-D) device simulations. The electronic and optical properties of CsSbCl<sub>4</sub> were evaluated using two different exchange–correlation functionals, PBE-GGA and TB-mBJ. Notably, the band structure displays a direct bandgap of 1.395 eV with TB-mBJ, closely aligned with the Shockley–Queisser (SQ) limit, indicating the material’s suitability for high-performance photovoltaics. Projected density of states (PDOS) analysis revealed Sb s-states dominate the valence band (VB), and Sb 5p-states dominate the conduction band (CB), highlighting the central role of antimony in governing electronic transitions, while absorption spans the electromagnetic spectrum from UV to near IR, with a high absorption coefficient around 10<sup>5</sup> cm<sup>−1</sup>, ensuring efficient light harvesting. To optimize the solar cell architecture, key parameters were systematically tuned using SCAPS 1-D, including the selection of electron transport layer (ETL) and hole transport layer (HTL), absorber layer (AL) thickness, doping concentration (N<sub>A</sub>), and defect density (Nt) were varied to enhance device output. Further, the influence of external conditions like series resistance (Rs), shunt resistance (Rsh), operating temperatures (300–400 K), and solar irradiance on photovoltaic performance was rigorously investigated. After careful optimization, the simulated device achieved a high short-circuit current density (J<sub>SC</sub>) of 30.34 mA/cm<sup>2</sup>, an open-circuit voltage (V<sub>OC</sub>) of 1.04 V, a fill factor (FF) of 85.17%, and a power conversion efficiency (PCE) of 26.95%. Altogether, these findings not only underscore the potential of CsSbCl<sub>4</sub> perovskite as a promising non-toxic Pb-free alternative but also provide a viable route toward the realization of high-efficiency next-generation photovoltaics.</p></div>","PeriodicalId":692,"journal":{"name":"Materials for Renewable and Sustainable Energy","volume":"14 3","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s40243-025-00336-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145613003","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Fabrication of titanium dioxide nanoparticle-doped polymer electrolytes for dye-sensitized solar cell modules: self-powered internet of things applications 染料敏化太阳能电池组件用二氧化钛纳米颗粒掺杂聚合物电解质的制备:自供电物联网应用
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00333-7
K. M. Manikandan, P. Senthamaraikannan, B. Balavairavan, Sheila Mahapatra, Bishwajit Dey

This paper explores the integration of Dye-Sensitized Solar Cell modules with Internet of Things applications, emphasizing their potential to provide sustainable, self-powered solutions. This research highlights the potential of nano titanium dioxide infused polymer electrolytes as a promising approach for advancing Dye-Sensitized Solar Cell technology, paving the way for more efficient, durable, and cost-effective solar energy harvesting systems. The prepared electrolytes are systematically investigated for their electrical conductivity, degree of crystallinity, charge transfer resistance, photovoltaic parameters, and surface roughness. The polymer electrolyte with10 wt% nano TiO2 particle shows a maximum electrical conductivity of 0.658 S cm−1 at 313 K. The highest Ea value for the optimised sample (S2) is 0.689 kJ mol−1, indicating enhanced charge carrier transport kinetics. 10 wt % of nano-TiO2 based polymer electrolytes exhibited a smaller Rct1 (3.010 Ω cm2), Rct2 (3.459 Ω cm2) and Rs (4.823 Ω cm2) compared to the other TiO2 doped polymer electrolytes. The Atomic force microscopy analysis revealed that the average roughness value of optimised sample S2 is 22.616 nm. The optimized Dye-Sensitized Solar Cell exhibit an enhanced photo-conversion efficiency of 4.67 ± 0.05% under 100 mW cm−2 illumination, making them suitable for sustainable IoT applications such as autonomous sensors and low-power embedded systems. Additionally, the DSSC module was integrated with an Internet of Things system that measured temperature and moisture. The user received the device’s output through an Android Smartphone App within 0.33 s. This work highlights the potential of nano-engineered polymer electrolytes in advancing DSSC technology for next-generation green energy solutions.

本文探讨了染料敏化太阳能电池模块与物联网应用的集成,强调了它们提供可持续、自供电解决方案的潜力。这项研究强调了纳米二氧化钛注入聚合物电解质的潜力,作为一种有前途的方法来推进染料敏化太阳能电池技术,为更高效、耐用和更具成本效益的太阳能收集系统铺平道路。系统地研究了所制备的电解质的电导率、结晶度、电荷转移电阻、光伏参数和表面粗糙度。在313 K时,纳米TiO2含量为10 wt%的聚合物电解质的最大电导率为0.658 S cm−1。优化后的样品(S2)的Ea值最高为0.689 kJ mol−1,表明载流子输运动力学增强。与其他掺杂TiO2的聚合物电解质相比,10 wt %的纳米TiO2基聚合物电解质具有更小的Rct1 (3.010 Ω cm2)、Rct2 (3.459 Ω cm2)和Rs (4.823 Ω cm2)。原子力显微镜分析表明,优化后的样品S2的平均粗糙度值为22.616 nm。优化后的染料敏化太阳能电池在100 mW cm - 2照明下的光转换效率提高了4.67±0.05%,适用于自主传感器和低功耗嵌入式系统等可持续物联网应用。此外,DSSC模块还集成了一个物联网系统,用于测量温度和湿度。用户在0.33秒内通过Android智能手机App接收到设备的输出。这项工作突出了纳米工程聚合物电解质在推进下一代绿色能源解决方案DSSC技术方面的潜力。
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引用次数: 0
Design and simulation of interface-tuned Cu(_{2})MgSnS(_{4}) solar cells using transition metal chalcogenides 基于过渡金属硫族化物的界面调谐Cu (_{2}) MgSnS (_{4})太阳能电池的设计与仿真
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00335-5
Akash Sharma, Rupashree Dutta, Prachi Mohanty, Saswat Mohapatra, Alfa Sharma

A novel CMTS-absorber-based heterojunction Solar Cell (SC) with device structure FTO/ZnO/Buffer layer (BL) /CMTS/Se has been numerically modeled and simulated using SCAPS-1D software. Our aim is to identify the most promising sulphur-based buffer layer that offers high efficiency and lower toxicity, which is essential for reducing the carbon footprint. The primary objective is to enhance the efficiency of the SC by optimizing key photovoltaic (PV) parameters of the corresponding buffer layer (BL), absorber layer (AL), along with interface defect density. From the simulations and the energy band diagram, we found that CMTS-based SC with ZrS(_{2}) buffer layer revealed an impressive power conversion efficiency (PCE). The effects of the front electrode’s work function and operating temperature on the device were also investigated. The findings indicate that the device exhibits greater stability and achieves optimum performance at a temperature of 300 K, with an optimized work function value of 5.9 eV (Se). Furthermore, the effects of Series resistance and Shunt resistance were considered in this study. To gain insight into the built-in potential, the capacitance–voltage (C–V) characteristics were also analysed. Device performance was properly explained by analyzing the electric field, generation rate, and both radiative and nonradiative recombination rates. The simulations achieved SC performances with a PCE of 26.01 %, a fill factor (FF) of 83.21 %, a short-circuit current ((J_{sc})) of 27.93 mA/cm2, and an open-circuit voltage ((V_{oc})) of 1.11 V.

采用SCAPS-1D软件对一种新型的具有FTO/ZnO/缓冲层(BL) /CMTS/Se器件结构的基于CMTS-吸收体的异质结太阳能电池(SC)进行了数值模拟。我们的目标是确定最有前途的硫基缓冲层,提供高效率和低毒性,这对减少碳足迹至关重要。主要目标是通过优化相应缓冲层(BL)、吸收层(AL)的关键光伏(PV)参数以及界面缺陷密度来提高SC的效率。从仿真和能带图中,我们发现具有ZrS (_{2})缓冲层的基于cmts的SC显示出令人印象深刻的功率转换效率(PCE)。研究了前电极的工作功能和工作温度对器件的影响。研究结果表明,该器件在300 K温度下具有更好的稳定性和最佳性能,优化的功函数值为5.9 eV (Se)。此外,本研究还考虑了串联电阻和分流电阻的影响。为了深入了解内置电位,还分析了电容电压(C-V)特性。通过分析电场、产生率以及辐射和非辐射复合率,合理地解释了器件的性能。仿真得到了PCE为26.01的SC性能 %, a fill factor (FF) of 83.21 %, a short-circuit current ((J_{sc})) of 27.93 mA/cm2, and an open-circuit voltage ((V_{oc})) of 1.11 V.
{"title":"Design and simulation of interface-tuned Cu(_{2})MgSnS(_{4}) solar cells using transition metal chalcogenides","authors":"Akash Sharma,&nbsp;Rupashree Dutta,&nbsp;Prachi Mohanty,&nbsp;Saswat Mohapatra,&nbsp;Alfa Sharma","doi":"10.1007/s40243-025-00335-5","DOIUrl":"10.1007/s40243-025-00335-5","url":null,"abstract":"<div><p>A novel CMTS-absorber-based heterojunction Solar Cell (SC) with device structure FTO/ZnO/Buffer layer (BL) /CMTS/Se has been numerically modeled and simulated using SCAPS-1D software. Our aim is to identify the most promising sulphur-based buffer layer that offers high efficiency and lower toxicity, which is essential for reducing the carbon footprint. The primary objective is to enhance the efficiency of the SC by optimizing key photovoltaic (PV) parameters of the corresponding buffer layer (BL), absorber layer (AL), along with interface defect density. From the simulations and the energy band diagram, we found that CMTS-based SC with ZrS<span>(_{2})</span> buffer layer revealed an impressive power conversion efficiency (PCE). The effects of the front electrode’s work function and operating temperature on the device were also investigated. The findings indicate that the device exhibits greater stability and achieves optimum performance at a temperature of 300 K, with an optimized work function value of 5.9 eV (Se). Furthermore, the effects of Series resistance and Shunt resistance were considered in this study. To gain insight into the built-in potential, the capacitance–voltage (C–V) characteristics were also analysed. Device performance was properly explained by analyzing the electric field, generation rate, and both radiative and nonradiative recombination rates. The simulations achieved SC performances with a PCE of 26.01 %, a fill factor (FF) of 83.21 %, a short-circuit current (<span>(J_{sc})</span>) of 27.93 mA/cm<sup>2</sup>, and an open-circuit voltage (<span>(V_{oc})</span>) of 1.11 V.</p></div>","PeriodicalId":692,"journal":{"name":"Materials for Renewable and Sustainable Energy","volume":"14 3","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s40243-025-00335-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145613001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dual proton transport in Schiff base-modified chitosan functionalized with AMPS for fuel cell applications AMPS修饰的希夫碱修饰壳聚糖在燃料电池中的双质子输运研究
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-11-26 DOI: 10.1007/s40243-025-00334-6
Sonia Jebri, Walid Mabrouk, Ridha Elleuch, Khaled Charradi, H. Elhosiny Ali, Dorra Ghorbel, Sherif M. A. S. Keshk

Proton exchange membranes (PEMs) require high proton conductivity, stability, and durability for fuel cell applications. This study reports the synthesis of N-(2-acrylamido-2-methylpropane sulfonyl) chitosan (CSB) via Schiff base functionalization with 2-acrylamido-2-methylpropane sulfonic acid (AMPS) and the introduction of imine (–CH=N–) and sulfonic acid (–SO3H) groups, which significantly enhance dual proton conduction mechanisms through the Grotthuss and vehicular pathways. Structural validation was confirmed by FTIR (new imine stretching peak at 1625 cm−1), NMR (imine proton resonance at 8.2 ppm), and XRD [peak shifts from 9.54° to 9.81° for (020) and 20.44° to 19.87° for (110)], increasing the d-spacing from 0.93 to 0.96 Å and 0.43 to 0.47 Å). The BET analysis revealed a surface area of 0.9856 m2/g for CSB and 0.3251 m2/g for AMPS, with micropore areas of 0.5997 m2/g and 0.4955 m2/g, respectively, confirming a controlled porous architecture favorable for ion transport. Zeta potential analysis demonstrated the influence of surface charge on stability, with CS exhibiting a strongly positive charge (+ 58.33 mV), AMPS showing near-neutral behavior (+ 0.29 mV), and CSB achieving moderate electrostatic stabilization (+ 5.58 mV). The synergy between the BET micropore distribution and zeta potential regulation enables efficient ion mobility and electrochemical stability, optimizing the proton conductivity. CSB achieved a proton conductivity of 86.2 mS/cm at 100 °C, surpassing that of pristine CS (49.1 mS/cm), with a lower activation energy (10 vs. 24 kJ/mol for CS). Additionally, CSB resulted in lower water uptake (55%) than CS (90%) and reduced methanol permeability (3.276 × 10−6 cm2/s vs. 5.358 × 10−6 cm2/s for CS), ensuring hydration-independent conductivity. Mechanical testing revealed a threefold increase in the tensile strength (31.6 MPa vs. 11.7 MPa for CS) and a significant increase in the elastic modulus (802.4 MPa vs. 195.7 MPa for CS), validating its structural reinforcement ability. These findings confirm the successful incorporation of Schiff base functionalization, demonstrating that CSB is a high-performance, biodegradable alternative to Nafion-based PEMs, offering superior proton conductivity, electrochemical resilience, and mechanical stability for next-generation fuel cell technologies.

质子交换膜(PEMs)需要高质子导电性,稳定性和耐用性用于燃料电池。本文报道了以2-丙烯酰胺-2-甲基丙烷磺酸(AMPS)为基料,引入亚胺(- ch =N -)和磺酸(- so3h)基团,席夫碱功能化合成N-(2-丙烯酰胺-2-甲基丙烷磺酰)壳聚糖(CSB),并通过Grotthuss和vehicle途径显著增强了双质子传导机制。通过FTIR(在1625 cm−1处的新亚胺拉伸峰)、NMR(在8.2 ppm处的亚胺质子共振峰)和XRD[峰移从(020)的9.54°到9.81°,(110)的20.44°到19.87°]证实了结构的验证,d间距从0.93增加到0.96 Å,从0.43增加到0.47 Å]。BET分析显示,CSB和AMPS的表面积分别为0.9856 m2/g和0.3251 m2/g,微孔面积分别为0.5997 m2/g和0.4955 m2/g,证实了有利于离子传输的可控多孔结构。Zeta电位分析证实了表面电荷对稳定性的影响,其中CS表现出强烈的正电荷(+ 58.33 mV), AMPS表现出接近中性的行为(+ 0.29 mV), CSB表现出中等的静电稳定(+ 5.58 mV)。BET微孔分布和zeta电位调节之间的协同作用实现了高效的离子迁移和电化学稳定性,优化了质子电导率。在100℃下,CSB的质子电导率为86.2 mS/cm,超过了原始CS (49.1 mS/cm),活化能较低(10比24 kJ/mol)。此外,CSB的吸水率(55%)低于CS(90%),甲醇渗透率降低(3.276 × 10 - 6 cm2/s, CS为5.358 × 10 - 6 cm2/s),确保了不依赖水合作用的导电性。力学测试表明,抗拉强度提高了3倍(31.6 MPa vs. 11.7 MPa),弹性模量显著提高(802.4 MPa vs. 195.7 MPa),验证了其结构加固能力。这些发现证实了Schiff碱功能化的成功结合,证明了CSB是一种高性能、可生物降解的燃料电池替代品,为下一代燃料电池技术提供了卓越的质子导电性、电化学弹性和机械稳定性。
{"title":"Dual proton transport in Schiff base-modified chitosan functionalized with AMPS for fuel cell applications","authors":"Sonia Jebri,&nbsp;Walid Mabrouk,&nbsp;Ridha Elleuch,&nbsp;Khaled Charradi,&nbsp;H. Elhosiny Ali,&nbsp;Dorra Ghorbel,&nbsp;Sherif M. A. S. Keshk","doi":"10.1007/s40243-025-00334-6","DOIUrl":"10.1007/s40243-025-00334-6","url":null,"abstract":"<div><p>Proton exchange membranes (PEMs) require high proton conductivity, stability, and durability for fuel cell applications. This study reports the synthesis of N-(2-acrylamido-2-methylpropane sulfonyl) chitosan (CSB) via Schiff base functionalization with 2-acrylamido-2-methylpropane sulfonic acid (AMPS) and the introduction of imine (–CH=N–) and sulfonic acid (–SO<sub>3</sub>H) groups, which significantly enhance dual proton conduction mechanisms through the Grotthuss and vehicular pathways. Structural validation was confirmed by FTIR (new imine stretching peak at 1625 cm<sup>−1</sup>), NMR (imine proton resonance at 8.2 ppm), and XRD [peak shifts from 9.54° to 9.81° for (020) and 20.44° to 19.87° for (110)], increasing the d-spacing from 0.93 to 0.96 Å and 0.43 to 0.47 Å). The BET analysis revealed a surface area of 0.9856 m<sup>2</sup>/g for CSB and 0.3251 m<sup>2</sup>/g for AMPS, with micropore areas of 0.5997 m<sup>2</sup>/g and 0.4955 m<sup>2</sup>/g, respectively, confirming a controlled porous architecture favorable for ion transport. Zeta potential analysis demonstrated the influence of surface charge on stability, with CS exhibiting a strongly positive charge (+ 58.33 mV), AMPS showing near-neutral behavior (+ 0.29 mV), and CSB achieving moderate electrostatic stabilization (+ 5.58 mV). The synergy between the BET micropore distribution and zeta potential regulation enables efficient ion mobility and electrochemical stability, optimizing the proton conductivity. CSB achieved a proton conductivity of 86.2 mS/cm at 100 °C, surpassing that of pristine CS (49.1 mS/cm), with a lower activation energy (10 vs. 24 kJ/mol for CS). Additionally, CSB resulted in lower water uptake (55%) than CS (90%) and reduced methanol permeability (3.276 × 10<sup>−6</sup> cm<sup>2</sup>/s vs. 5.358 × 10<sup>−6</sup> cm<sup>2</sup>/s for CS), ensuring hydration-independent conductivity. Mechanical testing revealed a threefold increase in the tensile strength (31.6 MPa vs. 11.7 MPa for CS) and a significant increase in the elastic modulus (802.4 MPa vs. 195.7 MPa for CS), validating its structural reinforcement ability. These findings confirm the successful incorporation of Schiff base functionalization, demonstrating that CSB is a high-performance, biodegradable alternative to Nafion-based PEMs, offering superior proton conductivity, electrochemical resilience, and mechanical stability for next-generation fuel cell technologies.</p></div>","PeriodicalId":692,"journal":{"name":"Materials for Renewable and Sustainable Energy","volume":"14 3","pages":""},"PeriodicalIF":5.5,"publicationDate":"2025-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s40243-025-00334-6.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145613004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elucidating oxygen reduction reaction over the full-pH range: a synthesis-active sites-performance trilogy of Fe–Nx–Cs 阐明全ph范围内的氧还原反应:Fe-Nx-Cs的合成-活性位点-性能三部曲
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-03 DOI: 10.1007/s40243-025-00332-8
Giovanni Zuccante, Valerio C. A. Ficca, Alessio Cosenza, Sofia Faina, Massimiliano D’Arienzo, Maurizio Acciarri, Plamen Atanassov, Carlo Santoro, Mohsin Muhyuddin

Iron–nitrogen–carbons (Fe–Nx–Cs) are among the most studied platinum group metal-free (PGM-free) electrocatalysts for oxygen reduction reaction (ORR). However, detailed and comprehensive studies of ORR activity and selectivity along the whole pH range, considering the possible influence of morphology and surface chemistry, are currently lacking in the literature. Herein, four Fe–Nx–Cs electrocatalysts synthesized with different methodologies and displaying different morphological and physicochemical features were tested for ORR with a rotating ring disk electrode (RRDE) in the whole pH range. The trends of onset potential (Eon), half-wave potential (E1/2), peroxide yield, number of transferred electrons (n), charge transfer coefficient (α) and logarithm of kinetic current densities (logJk) along the pH scale were reported. Among the electrocatalysts, both unique behaviors and common electrochemical trends were identified, each characterized by varying rates of change. The occurrence of Fe agglomeration, the surface area and chemistry were found to influence the trends of these physicochemical quantities, giving rise to differences among the tested electrocatalysts. Therefore, the study concluded that the ORR electrocatalysts investigated possess different morphological and physicochemical properties developed during the distinct synthesis processes. Although similar electrochemical activity patterns were exhibited by the samples under analysis, differences in the rate of variations within such trends were noticed, signifying modulations in the reaction kinetics or mechanistic pathways due to contrasting morphological and physicochemical characteristics. This can eventually suggest the possibility of selecting an appropriate electrocatalyst for operating at a specific pH.

铁氮碳(Fe-Nx-Cs)是研究最多的无铂族金属(PGM-free)氧还原反应(ORR)电催化剂之一。然而,考虑到形貌和表面化学可能的影响,目前文献中缺乏对整个pH范围内ORR活性和选择性的详细而全面的研究。本文采用旋转环盘电极(RRDE)在整个pH范围内对四种不同方法合成的Fe-Nx-Cs电催化剂进行了形貌和理化性质的ORR测试。报道了起始电位(Eon)、半波电位(E1/2)、过氧化物产率、转移电子数(n)、电荷转移系数(α)和动力学电流密度对数(logJk)在pH尺度上的变化趋势。在电催化剂中,确定了独特的行为和共同的电化学趋势,每个特征都有不同的变化速率。发现Fe团聚的发生、比表面积和化学性质会影响这些物化量的变化趋势,从而导致在所测试的电催化剂之间存在差异。因此,研究得出结论,所研究的ORR电催化剂在不同的合成过程中具有不同的形态和物理化学性质。虽然在分析样品中表现出相似的电化学活性模式,但在这种趋势中,变化速率的差异被注意到,这表明由于不同的形态和物理化学特征,反应动力学或机理途径发生了调节。这最终表明选择合适的电催化剂在特定pH下工作的可能性。
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引用次数: 0
A comprehensive review on energy storage materials & technologies: applications of nanofabrication techniques for enhanced performance and efficiency 储能材料与技术综述:纳米技术在提高性能和效率方面的应用
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-03 DOI: 10.1007/s40243-025-00329-3
Asmare Tezera Admase, Ejigayehu Desalegn Asrade, Solomon Workneh Fanta

Energy storage technologies have become increasingly essential in addressing the global transition toward renewable energy systems. The rapid global shift toward renewable energy has made efficient and reliable energy storage technologies (ESTs) essential for addressing the intermittency of solar, wind, and other clean energy sources. Recent research highlights significant advancements in battery chemistries, supercapacitors, hydrogen storage, and thermal energy systems; however, persistent challenges such as high manufacturing costs, limited cycle life, low energy density, and environmental impacts continue to hinder large-scale implementation. Despite the growing number of studies, there is a lack of integrated knowledge that systematically maps recent trends, material innovations, and application specific challenges. This review aims to bridge that gap by comprehensively analyzing advancements in energy storage technologies over the past decade, evaluating key performance indicators such as energy and power density, efficiency, and lifecycle sustainability. By synthesizing findings from peer-reviewed literatures this study identifies critical barriers and emerging strategies such as nanostructured materials, hybrid systems, and circular economy approaches that could redefine future energy storage landscapes. The conclusions underscore the urgent need for interdisciplinary research, material optimization, and cost-effective designs to accelerate the development and deployment of next-generation storage technologies.

能源储存技术在解决全球向可再生能源系统过渡方面变得越来越重要。全球向可再生能源的快速转变使得高效可靠的能源存储技术(est)成为解决太阳能、风能和其他清洁能源间歇性问题的关键。最近的研究突出了电池化学、超级电容器、储氢和热能系统方面的重大进展;然而,诸如高制造成本、有限的循环寿命、低能量密度和环境影响等持续存在的挑战继续阻碍大规模实施。尽管有越来越多的研究,但缺乏系统地描绘最新趋势、材料创新和应用特定挑战的综合知识。本文旨在通过全面分析过去十年储能技术的进步,评估能源和功率密度、效率和生命周期可持续性等关键性能指标,弥合这一差距。通过综合同行评议文献的发现,本研究确定了关键障碍和新兴策略,如纳米结构材料、混合系统和循环经济方法,这些方法可以重新定义未来的储能格局。这些结论强调了跨学科研究、材料优化和成本效益设计的迫切需要,以加速下一代存储技术的开发和部署。
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引用次数: 0
Bioinspired materials for radiative cooling by biomimetic mineralization 仿生矿化辐射冷却的仿生材料
IF 5.5 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Pub Date : 2025-10-03 DOI: 10.1007/s40243-025-00331-9
Tzer-Min Lee, Chih-Ling Huang

Radiative cooling transfers thermal energy to outer space through the mid-infrared spectrum. Silica glass microspheres can create high-emissivity metamaterials. This study prepared mesoporous and silica-based bioglass particles due to strong phonon-polariton resonances of silica and used a biomimetic mineralization process to form calcium carbonate and hydroxyapatite nanoscale structures. These structures scatter and reflect sunlight effectively. Polyvinyl alcohol substrate, with infrared molecular vibration characteristics, formed an interpenetrating polymer network with micro/nano hierarchical structure powders for daytime passive radiation cooling. Characterization of biomimetic mineral coatings included: microstructures observation by field-emission scanning electron microscopy; phase identification by X-ray diffraction; Brunauer–Emmett–Teller surface area and pore size distribution measurement; solar reflectivity and infrared absorption measurement. Taguchi method is an experimental planning method that can handle multiple variables and levels at the same time. The optimized condition level based on Taguchi method can be evaluated as: particle size of 2 μm, mineral period of 3 days, mineral concentration of 50%, and powder concentration of 30%. The radiative cooling performance test outdoors results show that the biomimetic mineralized bioglass coating can reach a maximum temperature reduction of 27.4 °C compared to 304 stainless steel plate at noon by radiation cooling. Adaptive neuro-fuzzy inference system was also used to construct an artificial intelligence model to predict the biomimetic mineralized material optimize radiation cooling and applicability. If the local weather conditions are provided, the radiation cooling performance of the product can be predicted. This study showed bio-inspired materials for radiative cooling by biomimetic mineralization.

辐射冷却通过中红外光谱将热能传递到外层空间。二氧化硅玻璃微球可以制造高发射率的超材料。本研究利用二氧化硅的强声子偏振共振制备了介孔和硅基生物玻璃颗粒,并利用仿生矿化过程形成碳酸钙和羟基磷灰石纳米级结构。这些结构有效地散射和反射阳光。聚乙烯醇基材利用红外分子振动特性,与微纳层叠结构粉末形成互穿聚合物网络,用于日间被动辐射冷却。仿生矿物涂层的表征包括:用场发射扫描电镜观察微观结构;x射线衍射相鉴别;brunauer - emmet - teller表面积和孔径分布测量;太阳反射率和红外吸收测量。田口法是一种可以同时处理多个变量和层次的实验规划方法。基于田口法的优化条件水平为:粒度为2 μm,矿物周期为3 d,矿物浓度为50%,粉体浓度为30%。室外辐射冷却性能测试结果表明,仿生矿化生物玻璃涂层在正午辐射冷却时比304不锈钢板最高可降低27.4℃。采用自适应神经模糊推理系统构建人工智能模型,对仿生矿化材料优化辐射冷却及适用性进行预测。如果有当地的天气条件,可以预测产品的辐射制冷性能。本研究展示了仿生矿化辐射冷却的仿生材料。
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引用次数: 0
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