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Mesoporous cubic SnS/rGO nanocomposites for enhanced heavy metal sensing and visible light–driven photocatalysis 用于增强重金属传感和可见光驱动光催化的介孔立方SnS/rGO纳米复合材料
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-18 DOI: 10.1007/s11581-025-06693-4
Priyanka V. P., S. S. Hegde, R. Venkatesh, K. Ramesh

Mesoporous cubic SnS/reduced graphene oxide (rGO) composites were synthesized via a modified wet chemical method with varying rGO concentrations (0, 5, 10, and 15 wt%). The synthesized composites were systematically investigated for their dual functionality in electrochemical heavy metal ions detection and photocatalytic degradation of organic dyes. X-ray diffraction (XRD) and Raman spectra analysis verified the purity of cubic phase SnS and significantly improved crystallinity of nanoparticles upon rGO incorporation. Field-emission scanning electron microscopy (FE-SEM) revealed that rGO sheets facilitated the nucleation and growth of SnS nanoparticles, leading to grain growth and reducing aggregation. Among the composites, the SnS/rGO with 10 wt% rGO exhibited optimal properties, including a large BET surface area (78.2 m2/g), reduced charge transfer resistance (16.8 Ω), strong visible light absorption, and a high diffusion coefficient (8.7 × 10−9 mm2/s). Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) were employed to assess the thermal stability and compositional behavior of pristine cubic SnS and SnS/rGO (10 wt%) composites. Electrochemical studies demonstrated that the optimal SnS/rGO composite exhibited the highest sensitivity (3.03 × 10⁻4 A/mM) and the lowest limit of detection (0.094 mM) for Pb2+ ions, which is attributed to efficient electron transport and abundant active sites. Photocatalytic experiments further demonstrated 96% degradation of crystal violet dye under visible light, following pseudo-first-order kinetics. The composite also showed excellent reusability and stability. These findings establish cubic SnS/rGO (10 wt%) as a promising material for environmental applications involving pollutant detection and remediation.

Graphical abstract

通过改进的湿化学方法,以不同的还原氧化石墨烯浓度(0、5、10和15 wt%)合成介孔立方SnS/还原氧化石墨烯(rGO)复合材料。系统地研究了合成的复合材料在电化学重金属离子检测和光催化降解有机染料方面的双重功能。x射线衍射(XRD)和拉曼光谱分析证实了立方相SnS的纯度,并显著提高了rGO掺入后纳米颗粒的结晶度。场发射扫描电镜(FE-SEM)显示,还原氧化石墨烯片促进了SnS纳米颗粒的成核和生长,促进了晶粒的生长和团聚。在复合材料中,含有10 wt% rGO的SnS/rGO表现出最佳的性能,包括大的BET表面积(78.2 m2/g),降低的电荷转移电阻(16.8 Ω),强的可见光吸收和高的扩散系数(8.7 × 10−9 mm2/s)。采用热重分析(TGA)和差热分析(DTA)对原始立方SnS和SnS/rGO (10 wt%)复合材料的热稳定性和组成行为进行了评估。电化学研究表明,最佳的SnS/rGO复合材料对Pb2+离子具有最高的灵敏度(3.03 × 10⁻4 A/mM)和最低的检出限(0.094 mM),这主要归因于其高效的电子传递和丰富的活性位点。光催化实验进一步证明,在可见光下晶体紫染料降解96%,符合准一级动力学。该复合材料还具有良好的可重复使用性和稳定性。这些发现表明立方SnS/rGO (10 wt%)是一种很有前途的环境材料,可用于污染物检测和修复。图形抽象
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引用次数: 0
Health assessment of lithium-ion batteries using multiple indirect feature extraction and WPA-optimized decision tree 基于多重间接特征提取和wpa优化决策树的锂离子电池健康评估
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-18 DOI: 10.1007/s11581-025-06661-y
Ruibin Si, Rui Pan, Quanfeng Liu, Juan Zhou

Accurately perceiving the state of health (SoH) is beneficial for the lithium-ion batteries’ security and steady operation. However, the actual usage environment of batteries is complex, resulting in a host of noise and outliers in the raw data, which poses great adversity to SoH estimation. Therefore, a wolf pack algorithm (WPA) optimized decision tree (DT) method based on indirect Health features is introduced in this paper to estimate the SoH of batteries. Firstly, the multiple indirect health features extracted in this paper can uncover deeper health information and effectively decrease the interference of noise and adverse data, which could be measured directly by sensors. Secondly, considering factors such as algorithm convergence time and computational cost, the WPA demonstrates its excellence performance and it is used to optimize the hyperparameters of the decision tree. Compared with deep learning, the combination of WPA and DT does not require a large amount of data, so the computational cost is lower. In addition, the inherent robustness of WPA, together with the interpretability of decision trees, Helps improve the generalization and accuracy of the estimation. Finally, contrast experiments are utilized to prove the validity of the introduced indirect health features and SoH estimation methods. The results illustrate that using the introduced indirect health features and SoH estimation method can significantly enhance the SoH estimation accuracy. The experiments used the first 900 and first 130 cycles from MIT and NASA dataset, and the mean absolute error (MAE) and maximum absolute error (MaxAE) on two datasets are both within 2% and 5%, respectively.

准确感知健康状态(SoH)有利于锂离子电池的安全稳定运行。然而,电池的实际使用环境比较复杂,原始数据中存在大量的噪声和异常值,这给SoH的估算带来了很大的困难。为此,本文提出了一种基于间接健康特征的狼群算法优化决策树方法来估计电池的SoH。首先,本文提取的多个间接健康特征可以揭示更深层次的健康信息,有效降低噪声和不良数据的干扰,这些数据可以通过传感器直接测量。其次,考虑算法收敛时间和计算成本等因素,证明了WPA算法的优异性能,并将其用于优化决策树的超参数。与深度学习相比,WPA和DT的结合不需要大量的数据,因此计算成本更低。此外,WPA固有的鲁棒性和决策树的可解释性有助于提高估计的泛化和准确性。最后,通过对比实验验证了所引入的间接健康特征和SoH估计方法的有效性。结果表明,采用引入的间接健康度特征和SoH估计方法可以显著提高SoH估计的精度。实验使用了MIT和NASA数据集的前900和前130个周期,两个数据集的平均绝对误差(MAE)和最大绝对误差(MaxAE)分别在2%和5%以内。
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引用次数: 0
Long-cycle stability of high-voltage LiCoO2 cathode by nitrile electrolyte additives 丁腈电解质添加剂对高压LiCoO2阴极长周期稳定性的影响
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-18 DOI: 10.1007/s11581-025-06690-7
Hai Wang, Ling Lv, Haikuo Zhang, Shuai Chen, Xiulin Fan, Youhao Liao, Weishan Li

High-voltage LiCoO2 (LCO) cathodes based lithium-ion batteries (LIBs) provide high energy density, but their long-cycle stability is compromised by detrimental side reactions at high voltages and elevated temperatures. Herein, we demonstrate that the performance limitations of high-voltage LCO cathodes can be substantially alleviated by incorporating cyanobenzene (CB) as an electrolyte additive. The addition of 1 wt.% CB to a commercial electrolyte enables 4.2 Ah LCO||graphite pouch cells operating at 4.53 V to retain 80% of their initial capacity after 550 cycles at a current density of 1.0 C under an elevated temperature of 45 °C. It outperforms the cell that achieves 80% of their initial capacity after 450 cycles with 1 wt.% 1,3,6-hexanetricarbonitrile (HTCN), a well-known commercial nitrile additive. Experimental results and theoretical analyses reveal that this significant improvement is attributed to the formation of a more robust cathode electrolyte interphase (CEI) film induced by the CB additive. CB is more readily oxidized than HTCN, effectively suppressing the oxidative decomposition of electrolyte components and preserving the structural integrity of LCO under high-voltage conditions. Furthermore, CB demonstrates superior compatibility with graphite anodes relative to HTCN. This work highlights the critical role of nitrile molecular structure in forming a stable CEI on high-voltage cathodes, providing valuable guidance for improving the energy density of LIBs from facile interface engineering tactics.

高压LiCoO2 (LCO)阴极基锂离子电池(LIBs)提供高能量密度,但其长周期稳定性受到高压和高温下有害副反应的影响。在此,我们证明了通过加入三苯(CB)作为电解质添加剂可以大大减轻高压LCO阴极的性能限制。在商用电解质中添加1 wt.%的CB,可以使4.2 Ah LCO||石墨袋电池在4.53 V下工作,在1.0 C电流密度下,在45°C的高温下,在550次循环后保持80%的初始容量。它的性能优于使用1 wt.% 1,3,6-己三碳腈(HTCN)(一种著名的商业腈添加剂),在450次循环后达到80%的初始容量的电池。实验结果和理论分析表明,这种显著的改善是由于CB添加剂诱导形成了更坚固的阴极电解质界面(CEI)膜。CB比HTCN更容易氧化,有效抑制了电解液组分的氧化分解,在高压条件下保持了LCO的结构完整性。此外,与HTCN相比,CB与石墨阳极的相容性更好。这项工作强调了腈分子结构在高压阴极上形成稳定CEI的关键作用,为从简单的界面工程策略提高lib的能量密度提供了有价值的指导。
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引用次数: 0
Design and electrochemical profiling of Zn-MOF for next-generation supercapacitors 下一代超级电容器用Zn-MOF的设计与电化学性能分析
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-17 DOI: 10.1007/s11581-025-06692-5
M. Deepikaa, S. Karthickprabhu, K. Karuppasamy, M. Mahendran

Metal–organic frameworks (MOFs) are popular due to their large surface area, tunable pore topologies, and unique structural properties. They are promising energy storage possibilities due to their traits. This study successfully synthesized a Zn-MOF using a room-temperature Co-precipitation method. X-ray diffraction confirmed that Zn-MOF exhibits a monoclinic crystal structure with a well-defined framework composed of Zn metal ions coordinated with BDC ligands, ensuring structural integrity. Thermal stability investigation employing TG/DTA showed endothermic breakdown at 485 °C, demonstrating the MOF’s resilience. FTIR was utilized for functional groups analysis studies. SEM analysis revealed particles predominantly exhibiting a Hexagonal shape with a sub-micron particle size. The Zn-MOF electrode accomplishes a supreme specific capacity of 122 mAh/g at 0.5 A/g. Furthermore, the Zn-MOF exhibited excellent cyclic stability, with a coulombic efficiency of 98.24% and capacity retention of 84.61% subsequent 3000 cycles at a higher current density. The symmetric supercapacitor device offered efficient charge transport, characterized by a low charge transfer resistance of approximately 2.3 Ω. Notably, the device delivered a specific power of 884.12 W kg−1and a specific energy of 10.3 Wh kg−1. Prolonged cycling stability was observed, with columbic efficiency and capacity retentions of 94.40% and 83.52% after 4000 cycles. These results show that Zn-MOF is a promising electrode for symmetric supercapacitors.

金属有机骨架(mof)因其具有较大的表面积、可调的孔隙拓扑结构和独特的结构特性而广受欢迎。由于它们的特性,它们有望成为储能的可能性。本研究采用室温共沉淀法成功合成了Zn-MOF。x射线衍射证实,Zn- mof呈单斜晶型结构,由锌金属离子与BDC配体组成的框架结构明确,保证了结构的完整性。热稳定性研究采用TG/DTA显示在485℃时吸热击穿,证明了MOF的弹性。FTIR用于官能团分析研究。扫描电镜分析显示,颗粒主要呈六边形,颗粒尺寸为亚微米。锌- mof电极在0.5 a /g时达到122 mAh/g的最高比容量。此外,Zn-MOF表现出优异的循环稳定性,在高电流密度下,连续3000次循环,库仑效率为98.24%,容量保持率为84.61%。对称超级电容器器件提供了高效的电荷传输,其特点是电荷转移电阻约为2.3 Ω。值得注意的是,该器件的比功率为884.12 W kg - 1,比能量为10.3 Wh kg - 1。经4000次循环后,其柱效率和容量保留率分别为94.40%和83.52%。这些结果表明,锌- mof是一种很有前途的对称超级电容器电极。
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引用次数: 0
Enhanced cycling and rate performance of Al-doped and amorphous Al2O3 coating Na4VMn(PO4)3 prepared through facile two-step synthesis 两步法制备的掺铝非晶Al2O3涂层Na4VMn(PO4)3循环性能和速率性能增强
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-16 DOI: 10.1007/s11581-025-06640-3
Xuan-Xi Liu, Zu-Tao Pan, Yao Xu, Kun Yan, Qi Zhou, Ling-Bin Kong

Na3V2(PO4)3 (NVP) is considered the most promising cathode material for sodium-ion batteries due to its unique ion transport channel, but the toxicity and price of elemental V is forcing the search for new cathode materials. Na4VMn(PO4)3(NVMP) has the same sodium superionic conductor (NASICON) structure as NVP, and it has higher voltage and energy density, but the Jahn–Teller effect of Mn3+, the dissolution of transition metals, and the poor conductivity severely limit its application. In this work, a simple two-step method was used to prepare amorphous Al2O3 and Al3+ doped double-acting NVMP, which not only suppressed the Jahn–Teller effect but also effectively improved structural stability. Among them, our prepared Na4VMn(PO4)3 (NVMP-0.5%Al) with 0.5% amorphous Al2O3 coating still has a specific capacity of 58.7 mAh g−1 with 67.9% capacity retention after 1000 cycles at 5 C current density, and at current densities of 0.2, 0.5, 1, 2, 5, 10, 15, and 20 C showed reversible capacities of 97.7, 89.1, 84.2, 82.5, 76.1, 70.0, 66.9, and 62.9 mAh g−1, respectively. This work significantly improves the cycle stability and rate performance of NVMP and effectively solves the problems of NVMP, which will be beneficial to the practical application of NVMP.

Na3V2(PO4)3 (NVP)由于其独特的离子传输通道被认为是最有前途的钠离子电池正极材料,但元素V的毒性和价格迫使人们寻找新的正极材料。Na4VMn(PO4)3(NVMP)具有与NVP相同的钠超离子导体(NASICON)结构,且具有更高的电压和能量密度,但Mn3+的Jahn-Teller效应、过渡金属的溶解以及较差的导电性严重限制了其应用。本文采用简单的两步法制备了非晶Al2O3和掺杂Al3+的双作用NVMP,不仅抑制了Jahn-Teller效应,而且有效地提高了结构稳定性。其中,我们制备的含有0.5%非晶Al2O3涂层的Na4VMn(PO4)3 (NVMP-0.5%Al)在5℃电流密度下循环1000次后的比容量仍为58.7 mAh g−1,容量保持率为67.9%,在0.2、0.5、1、2、5、10、15和20℃电流密度下的可逆容量分别为97.7、89.1、84.2、82.5、76.1、70.0、66.9和62.9 mAh g−1。该工作显著提高了NVMP的循环稳定性和速率性能,有效地解决了NVMP存在的问题,有利于NVMP的实际应用。
{"title":"Enhanced cycling and rate performance of Al-doped and amorphous Al2O3 coating Na4VMn(PO4)3 prepared through facile two-step synthesis","authors":"Xuan-Xi Liu,&nbsp;Zu-Tao Pan,&nbsp;Yao Xu,&nbsp;Kun Yan,&nbsp;Qi Zhou,&nbsp;Ling-Bin Kong","doi":"10.1007/s11581-025-06640-3","DOIUrl":"10.1007/s11581-025-06640-3","url":null,"abstract":"<div><p>Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> (NVP) is considered the most promising cathode material for sodium-ion batteries due to its unique ion transport channel, but the toxicity and price of elemental V is forcing the search for new cathode materials. Na<sub>4</sub>VMn(PO<sub>4</sub>)<sub>3</sub>(NVMP) has the same sodium superionic conductor (NASICON) structure as NVP, and it has higher voltage and energy density, but the Jahn–Teller effect of Mn<sup>3+</sup>, the dissolution of transition metals, and the poor conductivity severely limit its application. In this work, a simple two-step method was used to prepare amorphous Al<sub>2</sub>O<sub>3</sub> and Al<sup>3+</sup> doped double-acting NVMP, which not only suppressed the Jahn–Teller effect but also effectively improved structural stability. Among them, our prepared Na<sub>4</sub>VMn(PO<sub>4</sub>)<sub>3</sub> (NVMP-0.5%Al) with 0.5% amorphous Al<sub>2</sub>O<sub>3</sub> coating still has a specific capacity of 58.7 mAh g<sup>−1</sup> with 67.9% capacity retention after 1000 cycles at 5 C current density, and at current densities of 0.2, 0.5, 1, 2, 5, 10, 15, and 20 C showed reversible capacities of 97.7, 89.1, 84.2, 82.5, 76.1, 70.0, 66.9, and 62.9 mAh g<sup>−1</sup>, respectively. This work significantly improves the cycle stability and rate performance of NVMP and effectively solves the problems of NVMP, which will be beneficial to the practical application of NVMP.</p></div>","PeriodicalId":599,"journal":{"name":"Ionics","volume":"31 11","pages":"11659 - 11668"},"PeriodicalIF":2.6,"publicationDate":"2025-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145561273","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design and electrochemical studies of V2O5/ZnO nanocomposite electrodes for energy storage applications 储能用V2O5/ZnO纳米复合电极的设计与电化学研究
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-12 DOI: 10.1007/s11581-025-06666-7
S. Sathiya, S. Durairaj, S. Seenivasan, M. Sasikumar

Herein, we synthesized V2O5 nanosheets combinedly with spherical ZnO particles considered as a high-performance supercapacitor electrode through a two-step hydrothermal and annealing process. Furthermore, the obtained V2O5/ZnO composite material was characterized via X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy and X-ray photoelectron spectroscopy, which was confirmed by various physicochemical techniques. In addition, the resultant electrodes were evaluated the charge storage performance through a three-electrode system in an aqueous electrolyte system. As a result, the resultant electrode exhibited the areal capacitance of 37.5 mF cm−2 at the current density value of 1 mA cm−2 with 95% stability retention after 3000 cycles. The delivery of the capacitance, which enhances electrochemical performance and is derived from the different composite structure and work functions that take advantage of the synergetic effect to offer more electrochemically active spots and pathways, hence accelerating electron and ion transport.

本文通过水热和退火两步工艺合成了V2O5纳米片与球形ZnO粒子结合的高性能超级电容器电极。通过x射线衍射、傅里叶变换红外光谱、扫描电镜、透射电镜和x射线光电子能谱等手段对制备的V2O5/ZnO复合材料进行了表征,并通过多种物理化学技术对其进行了验证。此外,通过三电极体系在水电解质体系中评价了所得电极的电荷存储性能。结果表明,在电流密度为1ma cm−2时,电极的面电容为37.5 mF cm−2,循环3000次后稳定性保持95%。电容的传递,提高了电化学性能,来源于不同的复合结构和功函数,利用协同效应提供更多的电化学活性点和途径,从而加速电子和离子的传递。
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引用次数: 0
Cu nanoparticles decorated vacancy-rich TiO2 for efficient photoelectrochemical water splitting Cu纳米粒子修饰富空位TiO2用于高效光电化学水分解
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-11 DOI: 10.1007/s11581-025-06593-7
Zicheng Huang, Yulun Xie, Yuedong Guo, Heng Wu

Photoelectrochemical (PEC) water splitting offers an eco-friendly approach to generate hydrogen (H2) fuel using solar energy, enabling renewable energy production without carbon emissions. Herein, an efficient photoanode for the conversion of H2O into H2 is prepared by implanting Cu nanoparticles on vacancy-rich TiO2 nanorod arrays (NRAs). The unique structure of TiO2 NRAs provides a high surface area and direct charge transport pathways, which are critical for enhancing PEC efficiency. The TiO2 with rich oxygen vacancies facilitates charge carrier diffusion and reveals a significant rise of photo-generated carriers due to the reduced bandgap. Besides, the localized surface plasmon resonance (LSPR) effect of Cu greatly improved the visible-light harvesting capacity. At 1.23 V vs. RHE under 300 W Xe lamp illumination, Cu/def-TiO2 achieves a maximum photocurrent density of 1.90 mA cm−2 in 0.1 M Na2SO4 solution, representing a 2.3-fold enhancement compared to pristine TiO2. This work explains the mechanism of the synergistic effect of Cu and oxygen vacancies to improve PEC performance, offering novel insights for designing high-performance photoanodes.

光电化学(PEC)水分解提供了一种利用太阳能生产氢(H2)燃料的环保方法,实现了无碳排放的可再生能源生产。本文通过在富含空位的TiO2纳米棒阵列(NRAs)上植入Cu纳米颗粒,制备了一种将H2O转化为H2的高效光阳极。TiO2 NRAs的独特结构提供了高表面积和直接电荷传输途径,这是提高PEC效率的关键。富氧空位的TiO2有利于载流子扩散,并且由于带隙减小,光生载流子数量显著增加。此外,Cu的局域表面等离子体共振(LSPR)效应大大提高了可见光捕获能力。在300 W氙灯照明下,在1.23 V vs. RHE下,Cu/ def2 -TiO2在0.1 M Na2SO4溶液中达到了1.90 mA cm - 2的最大光电流密度,与原始TiO2相比提高了2.3倍。这项工作解释了Cu和氧空位协同作用提高PEC性能的机制,为设计高性能光阳极提供了新的见解。
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引用次数: 0
Data-driven state-of-health prediction for lithium-ion batteries using arbitrary charging voltage segments 使用任意充电电压段的锂离子电池数据驱动的健康状态预测
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-10 DOI: 10.1007/s11581-025-06682-7
Hu Hang

Accurate state-of-health (SOH) estimation of lithium-ion batteries under partial charging conditions remains challenging due to the inflexibility of existing methods requiring fixed voltage intervals. To address this challenge, this work proposes a novel ensemble learning framework capable of handling arbitrary voltage segments (as short as 0.01 V) by integrating fractional-order differential features, mutual information theory, and adaptive feature reuse. First, multiple base learners are independently trained on distinct voltage sub-intervals extracted from the constant-current charging phase. Their outputs are then concatenated and processed through a meta-model to obtain the final result. To enhance feature diversity, both integer-order and fractional-order differential curves are introduced, while mutual information theory is employed to identify the most discriminative feature set. The optimal base and meta-models are selected via cross-validation. Experiments on batteries with divergent aging patterns demonstrate excellent performance, achieving MAE and RMSE below 0.02 across all voltage intervals. This outperforms conventional approaches and maintains computational efficiency for real-world deployment.

由于需要固定电压间隔的现有方法缺乏灵活性,对部分充电条件下锂离子电池的准确健康状态(SOH)估计仍然具有挑战性。为了解决这一挑战,本工作提出了一种新的集成学习框架,能够通过集成分数阶微分特征、互信息理论和自适应特征重用来处理任意电压段(短至0.01 V)。首先,对从恒流充电阶段提取的不同电压子区间独立训练多个基学习器。然后将它们的输出连接起来,并通过元模型进行处理,以获得最终结果。为了增强特征的多样性,引入了整数阶和分数阶微分曲线,并利用互信息理论来识别最具判别性的特征集。通过交叉验证选择最优的基模型和元模型。对不同老化模式电池的实验证明了优异的性能,在所有电压区间内MAE和RMSE均低于0.02。这优于传统方法,并保持了实际部署的计算效率。
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引用次数: 0
Parameter estimation of proton exchange membrane fuel cell using hybrid grouping biogeography optimization algorithm 基于混合分组生物地理优化算法的质子交换膜燃料电池参数估计
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-08 DOI: 10.1007/s11581-025-06600-x
Ramesh Kumar, Manish Kumar Singla, Muhammed Ali S.A., Jyoti Gupta, Pradeep Jangir,  Arpita, EI-Sayed M. EI-Kenawy, Amal H. Alharbi, Reena Jangid

Proton exchange membrane fuel cells (PEMFCs) are vital for sustainable energy applications due to their efficiency, low emissions, and quiet operation. Accurate optimization of design variables is essential for their performance enhancement, but existing algorithms like WR-BBO, TB-BBO, and HBBOS struggle with issues like slow convergence, local optima entrapment, and parameter sensitivity. The hybrid grouping biogeography-based optimization (HG-BBO) algorithm uses migration and mutation operators for local and global search, respectively. HG-BBO was applied to optimize the design variables of 12 PEMFC stacks: BCS 500 W, Nedstack 600 W PS6, SR-12 W, Horizon H-12, Ballard Mark V, and STD 250 W. Comparative analysis with algorithms such as BBO-M, DE-BBO, Lx-BBO, BHCS, BLPSO, and HBBOS revealed that HG-BBO outperforms them in terms of accuracy, convergence speed, and robustness. The objective function sum of squared error (SSE) for stack voltage is minimized using different algorithms for comparative analysis. Simulation results for I-V and V-P characteristics aligned closely with experimental data under varying temperature and pressure conditions. These findings highlight HG-BBO’s theoretical significance in solving nonlinear optimization problems and its practical utility in enhancing PEMFC design and operational reliability. Future work will focus on real-time optimization, algorithm hybridization, and scaling to larger energy systems, offering a robust tool for advancing PEMFC technology.

质子交换膜燃料电池(pemfc)由于其高效、低排放和安静的运行,在可持续能源应用中至关重要。设计变量的精确优化对其性能增强至关重要,但现有的WR-BBO、TB-BBO和HBBOS等算法存在收敛缓慢、局部最优捕获和参数敏感性等问题。基于生物地理的混合分组优化(HG-BBO)算法分别使用迁移算子和突变算子进行局部搜索和全局搜索。利用hb - bbo优化了12个PEMFC堆的设计变量:BCS 500w、Nedstack 600w、PS6、sr - 12w、Horizon H-12、Ballard Mark V和STD 250w。通过与BBO-M、DE-BBO、Lx-BBO、BHCS、BLPSO和HBBOS等算法的对比分析,HG-BBO在精度、收敛速度和鲁棒性方面都优于它们。采用不同的算法对叠加电压的目标函数误差平方和进行了最小化,并进行了对比分析。在不同温度和压力条件下,I-V和V-P特性的模拟结果与实验数据基本一致。这些发现突出了HG-BBO在解决非线性优化问题方面的理论意义,以及它在提高PEMFC设计和运行可靠性方面的实际应用。未来的工作将集中在实时优化、算法混合和扩展到更大的能源系统上,为推进PEMFC技术提供一个强大的工具。
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引用次数: 0
A multi-scale electrochemical-thermal–mechanical coupling model for lithium-ion batteries based on layer-wise theory and its stress–strain impact analysis 基于分层理论的锂离子电池多尺度电化学-热-力耦合模型及其应力-应变影响分析
IF 2.6 4区 化学 Q3 CHEMISTRY, PHYSICAL Pub Date : 2025-09-08 DOI: 10.1007/s11581-025-06584-8
Peichao Li, Shixing Bai, Xiaoqiang Zhang, Dongxu Zuo, Hengyun Zhang

The rapid advancement of lithium-ion batteries highlights the critical importance of mechanical behavior in determining battery life and safety. This study presents an electrochemical-thermal–mechanical (ETM) coupling model based on layer-wise (LW) theory to investigate the effect of spatial stress non-uniformity on the electrochemical performance of lithium-ion batteries. The proposed model extends the existing framework by applying layer-wise (LW) theory at the cell level. It provides a detailed description of the battery structure while efficiently capturing the interactions between the expansion of multiple electrode layers. The model analyzes strain and stress distributions across different layers, focusing on how these factors influence the electrochemical properties of multilayer electrodes. The results reveal that the absolute strain of each component follows the order: negative electrode > separator > positive electrode > collector, with strain increasing from the inner to the outer layers. This strain characteristic significantly impacts the solid and liquid phase volume fractions within the electrodes. Furthermore, different component arrangements lead to variations in the stress distribution inside the battery. These findings provide valuable insights for optimizing battery structural design and addressing load-related challenges.

Graphical Abstract

锂离子电池的快速发展凸显了机械性能在决定电池寿命和安全性方面的关键重要性。为了研究空间应力不均匀性对锂离子电池电化学性能的影响,提出了基于分层理论的电化学-热-机械(ETM)耦合模型。提出的模型通过在单元级应用分层(LW)理论扩展了现有框架。它提供了电池结构的详细描述,同时有效地捕获了多个电极层膨胀之间的相互作用。该模型分析了不同层间的应变和应力分布,重点研究了这些因素如何影响多层电极的电化学性能。结果表明:各组分的绝对应变顺序为:负极>;分离器>;正极>;集热器,应变由内到外依次递增。这种应变特性显著影响电极内固液相体积分数。此外,不同的组件排列导致电池内部应力分布的变化。这些发现为优化电池结构设计和解决与负载相关的挑战提供了有价值的见解。图形抽象
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Ionics
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