Future Batteries最新文献_第2页

The effects of substitutional tin (Sn) doping on the layered LiMnO2 cathode material for lithium-ion batteries 替代锡（Sn）掺杂对锂离子电池层状LiMnO2正极材料的影响

Future Batteries

Pub Date : 2026-01-02 DOI: 10.1016/j.fub.2026.100140

R.B. Mokgabudi, K.T. Malatji, N.N. Ngoepe, P.E. Ngoepe

Lithium-ion batteries (LIBs) have emerged as a dominant force in global energy storage, powering electric vehicles (EVs), grid-scale storage systems, and consumer electronics. Their dominance stems for unparalleled advantages, including high operating voltage, high energy density, long cycle life, high power, efficiency, and eco-friendliness. As a result, LIBs have become the dominant power source in the rechargeable battery market. However, their performance is often hindered by Jahn-Teller distortion, which causes structural degradation. To address this, substitutional cation doping has been explored as a strategy to enhance structural stability, mechanical performance, and conductivity. In this study, first-principles calculations combined with cluster expansion techniques were employed to investigate Sn-substituted layered LiMnO₂ (R-3m), generating 29 distinct phases. Among these, three stable configurations Li₄MnSn₃O₈, Li₄Mn₂Sn₂O₈, and Li₄Mn₃SnO₈ were identified, with Li₄Mn₃SnO₈ exhibiting the highest thermodynamic stability, metallic behaviour, indicating superior electron conductivity and improved mechanical stability. Structural analysis revealed good agreement with previous studies. The substitution of Sn for Mn was found to be doubly beneficial: it enlarges lithium diffusion channels due to its larger ionic radius and critically modulates voltage characteristics, with excessive Sn leading to a sharp voltage increase. providing valuable insights for designing advanced, stable Li-rich Mn-based cathodes with optimized Sn substituting for next-generation batteries.

锂离子电池（LIBs）已成为全球能源存储、电动汽车（ev）、电网规模存储系统和消费电子产品的主导力量。其优势在于具有高工作电压、高能量密度、长循环寿命、高功率、高效率和环保等无可比拟的优势。因此，锂电池已成为可充电电池市场的主导电源。然而，它们的性能经常受到jann - teller畸变的影响，从而导致结构退化。为了解决这个问题，取代阳离子掺杂已经被探索作为提高结构稳定性，机械性能和电导率的策略。在本研究中，采用第一性原理计算结合簇展技术研究了sn取代的层状LiMnO2 (R-3m)，生成了29种不同的相。其中，Li4MnSn3O8、Li4Mn2Sn2O8和Li4Mn3SnO8表现出最高的热力学稳定性和金属行为，表明Li4Mn3SnO8具有优异的电子导电性和更好的机械稳定性。结构分析结果与前人的研究结果一致。研究发现，用Sn取代Mn具有双重好处：由于其离子半径更大，扩大了锂的扩散通道，并对电压特性进行了严格调节，过量的Sn会导致电压急剧升高。为设计先进、稳定的富锂锰基阴极和优化的锡替代下一代电池提供了宝贵的见解。

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引用次数: 0

Derivation and experimental analysis of Peukert’s equation in terms of fractional equivalent circuits 分数阶等效电路中Peukert方程的推导与实验分析

Future Batteries

Pub Date : 2025-12-30 DOI: 10.1016/j.fub.2025.100137

Michael J. Cree , Marcus T. Wilson , Jonathan B. Scott

Using an equivalent circuit model (ECM) of a battery that involves fractional elements we analytically derive Peukert’s empirical equation along with generalisations of the equation for the increasing capacity of the battery as the charge and discharge currents are reduced. The derived generalised Peukert’s Equations are dimensionally consistent and all parameters (including Peukert’s coefficient and the so-called ‘capacity constant’) can be calculated from the parameters of the ECM and operating voltage range of the battery. Experiments are conducted on ten batteries to demonstrate that the resistor fractional-capacitor series ECM fit to discharge times predicts well the impedance spectrum found by electrochemical impedance spectroscopy (EIS), and vice versa, on Li-CO/NCA/NMC and Na-ion batteries. This agreement is not observed on the tested LiFePO

_{4}

and LiTO batteries because the impedance spectrum exhibits behaviour not captured by the ECM. Peukert’s Equation predicts ever increasing capacity as both the charge and discharge currents are reduced. The experimental results confirm this behaviour for all batteries down to the lowest current measured (C/256).

使用包含分数单元的电池等效电路模型（ECM），我们解析地推导出Peukert经验方程，以及随着充放电电流的减小而增加电池容量的方程的概化。导出的广义Peukert方程在尺寸上是一致的，所有参数（包括Peukert系数和所谓的“容量常数”）都可以从ECM的参数和电池的工作电压范围中计算出来。在10个电池上进行的实验表明，电阻器部分电容串联ECM能很好地预测电化学阻抗谱（EIS）所得到的放电次数的阻抗谱，而Li-CO/NCA/NMC和na离子电池的阻抗谱反之亦然。在测试的LiFePO4和LiTO电池上没有观察到这种一致性，因为阻抗谱显示的行为没有被ECM捕获。Peukert公式预测，随着充电和放电电流的减小，容量会不断增加。实验结果证实了这种行为对所有电池低至最低电流测量（C/256）。

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引用次数: 0

Turning water system vibrations into power: A battery-free step toward sustainability 将水系统振动转化为动力：迈向可持续发展的无电池一步

Future Batteries

Pub Date : 2025-12-29 DOI: 10.1016/j.fub.2025.100136

Oluwafemi Babatunde Olasilola , Adeola Ajoke Oni , Olawale Rukayat Abisola , Elizabeth A. Adeola , Amirlahi Ademola Fajingbesi , Kemi K. Oladapo , Funso P. Adeyekun

This Study investigates the potential of piezoelectric energy harvesting (PEH) as a sustainable power alternative to conventional batteries in water and wastewater engineering. As monitoring networks expand and pressure grows to reduce electronic waste, PEH offers a promising route to battery-free, self-powered sensing by converting mechanical vibrations from pumps, pipelines, and aeration systems into usable electrical energy. A mixed-methods approach—combining systematic literature review, meta-analysis, and mathematical modelling—was used to evaluate the technical performance, environmental benefits, and economic feasibility of PEH integration across water-sector applications. Analysis of 126 studies and pilot deployments indicates notable improvements in energy conversion efficiency, with recent polymer-based nanogenerators achieving gains of up to 60 %. Scenario modelling further suggests that replacing battery-powered sensors with PEH-enabled devices could reduce associated carbon emissions by approximately 70–75 % under favourable operating conditions. The estimated Levelized Cost of Electricity (LCOE) of $50–80/MWh positions PEH as increasingly competitive with other distributed renewable technologies. Overall, the findings highlight PEH as a viable, environmentally responsible power solution that can enhance sustainability, reduce battery waste, and improve.

本研究探讨了压电能量收集（PEH）在水和废水工程中作为传统电池的可持续能源替代品的潜力。随着监测网络的扩大和减少电子垃圾的压力的增加，PEH通过将泵、管道和通风系统的机械振动转化为可用的电能，为无电池、自供电传感提供了一条很有前途的途径。采用系统文献综述、荟萃分析和数学模型相结合的混合方法来评估跨水部门应用的PEH集成的技术性能、环境效益和经济可行性。对126项研究和试点部署的分析表明，能源转换效率显著提高，最近基于聚合物的纳米发电机的收益高达60% %。情景模型进一步表明，在有利的操作条件下，用peh支持的设备取代电池供电的传感器可以减少大约70 - 75% %的相关碳排放。据估计，PEH的平准化电力成本（LCOE）为50-80美元/兆瓦时，这使得它与其他分布式可再生能源技术的竞争日益激烈。总的来说，研究结果强调了PEH是一种可行的、对环境负责的电力解决方案，可以提高可持续性，减少电池浪费，并改善环境。

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引用次数: 0

Carbon-coated nanoclustered LiMn0.6Fe0.4PO4 cathode for long-life lithium-ion batteries 长寿命锂离子电池碳包覆纳米簇状LiMn0.6Fe0.4PO4阴极

Future Batteries

Pub Date : 2025-12-29 DOI: 10.1016/j.fub.2025.100135

Pan Chu , Liwang Ye , Yu Zhao , Huang Liu , Qiming Wang , Zijian Qiu , Lin Zeng

Lithium manganese iron phosphate (LMFP) has garnered significant interest as a promising cathode material for energy storage applications due to its high thermal stability, low cost, and favorable electrochemical performance in lithium-ion batteries. However, its practical application is still hindered by challenges in enhancing electrochemical activity, cycling stability, and rate capability. In this study, a high-performance cathode material, designated as LMFP-2, is introduced, highlighting its superior electrochemical characteristics, structural robustness, and scalable synthesis approach. LMFP-2 was synthesized via a simple and scalable solid-state process, which facilitates a uniform distribution of active sites and preserves structural integrity during electrochemical cycling. Electrochemical characterization reveals well-defined redox peaks at approximately 3.5 V and 4.1 V, corresponding to the Fe²⁺/Fe³⁺ and Mn²⁺/Mn³⁺ redox couples, respectively, indicating strong electrochemical activity. The as-prepared LMFP-2 delivers a high discharge capacity of 161 mAh g⁻¹ at a 0.1 C rate and retains 90 % of its initial capacity after 500 cycles at 1 C, demonstrating excellent cycling stability. Notably, LMFP-2 also exhibits outstanding rate performance, maintaining 80 % of its capacity even at a high rate of 5 C. Furthermore, the material displays low polarization (ΔV=0.08 V), indicating minimal internal resistance and high electrochemical reversibility, which are critical for high-power applications. The synergistic combination of high capacity, prolonged cycle life, mechanical durability, and scalable synthesis underscores the potential of LMFP-2 as a next-generation cathode material for lithium-ion batteries and other advanced energy storage systems.

磷酸锰铁锂（LMFP）由于其在锂离子电池中的高热稳定性、低成本和良好的电化学性能，作为一种有前途的储能正极材料，已经引起了人们的极大兴趣。然而，它的实际应用仍然受到提高电化学活性、循环稳定性和速率能力的挑战。在本研究中，介绍了一种高性能正极材料LMFP-2，突出了其优越的电化学特性，结构稳健性和可扩展的合成方法。通过一种简单且可扩展的固态工艺合成了LMFP-2，这有助于活性位点的均匀分布，并在电化学循环过程中保持结构完整性。电化学表征显示，在约3.5 V和4.1 V处有明确的氧化还原峰，分别对应于Fe 2 + /Fe 3 +和Mn 2 + /Mn 3 +的氧化还原对，显示出较强的电化学活性。制备的lmpp -2在0.1 ℃下可提供161 mAh g⁻¹的高放电容量，在1 ℃下循环500次后仍保持其初始容量的90% %，表现出良好的循环稳定性。值得注意的是，lmpp -2也表现出出色的速率性能，即使在5 C的高速率下也能保持80% %的容量。此外，该材料显示出低极化（ΔV=0.08 V），表明内阻最小，电化学可逆性高，这对大功率应用至关重要。高容量、长循环寿命、机械耐久性和可扩展合成的协同组合，突显了lmpp -2作为锂离子电池和其他先进储能系统的下一代正极材料的潜力。

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引用次数: 0

First principles investigation of the redox behavior of the VCo₂O₄ (001) surface VCo₂O₄（001）表面氧化还原行为的第一性原理研究

Future Batteries

Pub Date : 2025-12-15 DOI: 10.1016/j.fub.2025.100134

Percy Ngobeni, Phuti E. Ngoepe, Khomotso P. Maenetja

Due to the increased interest in vanadium cobaltite (VCo₂O₄) as a significant component of various catalysts, we have decided to investigate how its primary surfaces respond to oxidation and reduction processes. Our study employed computational modelling based on density functional theory to assess various surface types of geometries and surface free energies. This includes the stoichiometric plane and those containing either insufficient or excessive amounts of oxygen atoms. The most stable surface in the crystal is the (001) orientation. The crystal has an equilibrium morphology that resembles a cube with rounded corners. In our analysis, we identified the surface free energies of the most stable VCo₂O₄ (001) surface when oxygen atoms are adsorbed and reduced. The adsorption of oxygen atoms ensures the stability of the system, while their reduction causes it to become unstable. We analysed the oxygen adsorption (Γ= +1, +2) and vacancy formation energies (Γ= −1, −2); however, upon adsorption, we noticed the exothermic behaviour with decreasing adsorption energies. Conversely, the vacancy formation demonstrates an endothermic behaviour with increasing energies as oxygen atoms are reduced. The Bader charge provides insights into the interactions between atoms within a system. The reduction and adsorption of oxygen atoms result in minimal changes in the charge of the V and Co atoms, whether they are oxidized or reduced, compared to their original state. The interplanar distances indicate that the introduction of an oxygen atom leads to an expansion of the system, while its removal causes the system to contract. Understanding the work function aids in determining the system's level of reactivity. The presence of oxygen atoms reduces the system's reactivity, while their absence enhances it. We investigated and described the changes in the magnetic moment as the surface coverage increased. The findings will assist us in identifying a catalyst that can enhance the performance of the oxygen reduction reaction (ORR) and the oxygen evolution reaction (OER), ultimately improving the efficiency of Zn-air batteries.

由于对钒钴酸盐（VCo2O4）作为各种催化剂的重要组成部分的兴趣增加，我们决定研究其初级表面对氧化和还原过程的反应。我们的研究采用基于密度泛函理论的计算模型来评估各种表面类型的几何形状和表面自由能。这包括化学计量平面和氧原子含量不足或过量的平面。晶体中最稳定的表面是（001）取向。晶体的平衡形态类似于具有圆角的立方体。在我们的分析中，我们确定了最稳定的VCo2O4（001）表面在氧原子被吸附和还原时的表面自由能。氧原子的吸附保证了体系的稳定性，而氧原子的还原则使体系变得不稳定。我们分析了氧吸附（Γ= +1, +2）和空位形成能（Γ=−1,−2）；然而，在吸附后，我们注意到随着吸附能的降低，放热行为。相反，空位形成表现出吸热行为，随着氧原子被还原，能量增加。贝德电荷提供了对系统中原子之间相互作用的见解。氧原子的还原和吸附导致V和Co原子的电荷变化很小，无论它们是被氧化还是被还原，与原始状态相比。面间距离表明，氧原子的引入导致体系膨胀，而氧原子的移除导致体系收缩。理解功函数有助于确定系统的反应性水平。氧原子的存在降低了体系的反应性，而不存在则增强了体系的反应性。我们研究并描述了磁矩随表面覆盖率的增加而发生的变化。这一发现将帮助我们确定一种催化剂，可以提高氧还原反应（ORR）和析氧反应（OER）的性能，最终提高锌空气电池的效率。

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引用次数: 0

Exploiting unlabeled data for battery state-of-health estimation using transformer-LSTM neural network with semi-supervised learning 利用变压器- lstm神经网络半监督学习的未标记数据进行电池健康状态估计

Future Batteries

Pub Date : 2025-12-12 DOI: 10.1016/j.fub.2025.100133

Yue Dong , Guangcai Zhao , Zhangang Yang

Accurate estimation of the state of health (SOH) is critical to ensure the safe and reliable operation of lithium-ion batteries. Existing SOH estimation methods are typically based on supervised learning and require large-scale labeled battery aging datasets. However, the acquisition of accurate data labels is costly and labor-intensive, thereby limiting the effective utilization of the abundant unlabeled aging data. To address this challenge, a hybrid framework integrating semi-supervised learning (SSL) with a Transformer-LSTM neural network is proposed in this study. First, recursive feature elimination is employed to optimize feature selection related to charge capacity and energy, thereby reducing data redundancy. Next, a Transformer-LSTM architecture is constructed to capture both local and global temporal dependencies. Transfer learning is used to adapt pre-trained knowledge from the source domain to the target battery, thereby providing a robust initial representation for the subsequent SSL stage. Finally, a self-training-based SSL strategy is introduced to leverage the synergy between the limited labeled data and abundant unlabeled data. High-confidence pseudo-labeled samples are iteratively added to the training process, enabling the unlabeled data to enhance the supervisory signal and progressively improve the model performance. Experimental results show that the proposed method reduces the root mean square error by 26.27 % relative to the baseline Transformer-LSTM model. These findings confirm the effectiveness of the proposed SSL-based framework in decreasing dependence on labeled data, improving generalization, and enhancing SOH estimation accuracy.

准确估计锂离子电池的健康状态（SOH）是保证锂离子电池安全可靠运行的关键。现有的SOH估计方法通常基于监督学习，并且需要大规模标记电池老化数据集。然而，获取准确的数据标签成本高，劳动强度大，从而限制了大量未标记的老化数据的有效利用。为了解决这一挑战，本研究提出了一种将半监督学习（SSL）与Transformer-LSTM神经网络相结合的混合框架。首先，采用递归特征消去优化与充电容量和能量相关的特征选择，减少数据冗余；接下来，构造一个Transformer-LSTM体系结构来捕获本地和全局时间依赖性。迁移学习用于将预训练的知识从源域适应到目标单元，从而为随后的SSL阶段提供一个健壮的初始表示。最后，介绍了一种基于自我训练的SSL策略，以利用有限的标记数据和丰富的未标记数据之间的协同作用。在训练过程中迭代地加入高置信度的伪标记样本，使未标记数据增强监督信号，逐步提高模型性能。实验结果表明，该方法相对于基线Transformer-LSTM模型的均方根误差降低了26.27 %。这些发现证实了所提出的基于ssl的框架在减少对标记数据的依赖、提高泛化和提高SOH估计精度方面的有效性。

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引用次数: 0

Safer, longer-lasting batteries using a smart gel electrolyte mix 使用智能凝胶电解质混合物的更安全，更持久的电池

Future Batteries

Pub Date : 2025-12-11 DOI: 10.1016/j.fub.2025.100132

Amirlahi Ademola Fajingbesi , Adeola Ajoke Oni , Peter T. Oluwasola , Owoade O. Odesanya , Elizabeth A. Adeola , Adeyinka G. Ologun , Funso P. Adeyekun , Francis T. Omigbodun

This study investigates a dual-additive gel polymer electrolyte (GPE) system designed to enhance the electrochemical performance of sodium metal batteries through interphase engineering and improved ion transport. The objective was to evaluate, through simulation modelling, the effect of combining potassium tetrafluoroborate (KBF₄) and lithium difluoro(oxalato)borate (LiDFOB) within a fluorostyrene–PEGDA polymer matrix on ionic conductivity, electrochemical stability, and cycling durability. A coupled transport–kinetics framework incorporating Nernst-Planck, Butler-Volmer, and SEI-growth models was used to predict conductivity, voltage response, and interface behaviour. Results indicate a room-temperature conductivity of approximately 4.1 × 10⁻³ S cm⁻¹ , representing an improvement of > 20 % over typical sodium GPE values. The electrolyte also demonstrated a stability window near 5.0 V vs Na⁺/Na and sustained symmetric-cell stability of> 1200 h without dendrite-induced failure. Full-cell simulation with a Na₃V₂(PO₄)₃ cathode yielded ∼93 % capacity retention over 7000 cycles at 10 C, with predicted error margins within ±3 % for conductivity and ±2.5 mV in voltage deviation. These findings highlight the potential of dual-additive polymer electrolytes for high-rate, long-life sodium-based energy storage systems.

本研究研究了一种双添加剂凝胶聚合物电解质（GPE）体系，旨在通过界面工程和改善离子传输来提高钠金属电池的电化学性能。目的是通过模拟建模，评估在氟苯乙烯-聚乙二醇聚乙二醇聚合物基体中结合四氟硼酸钾（KBF₄）和二氟硼酸锂（草酸）（LiDFOB）对离子电导率、电化学稳定性和循环耐久性的影响。结合Nernst-Planck、Butler-Volmer和sei生长模型的耦合传输动力学框架用于预测电导率、电压响应和界面行为。结果表明室温电导率约为4.1 × 10⁻³ S cm⁻¹ ，比典型的GPE钠值提高了>； 20 %。电解质还显示出接近5.0 V vs Na + /Na的稳定窗口，并保持对称电池稳定性>； 1200 h，没有枝晶诱导的失效。用Na₃V₂（PO₄）₃阴极进行全电池模拟，在10 ℃下，在7000次循环中获得了~ 93 %的容量保持率，电导率的预测误差范围在±3 %，电压偏差在±2.5 mV。这些发现突出了双添加剂聚合物电解质在高速率、长寿命钠基储能系统中的潜力。

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引用次数: 0

Electrochemical activity of NbSe2 in sodium and potassium-ion batteries: A temperature-dependent study 钠离子和钾离子电池中NbSe2的电化学活性：温度依赖性研究

Future Batteries

Pub Date : 2025-12-11 DOI: 10.1016/j.fub.2025.100131

Md Zawad Hossain, Davi M. Soares

Understanding the correlation between temperature and the electrochemical performance dynamics of materials in rechargeable batteries is crucial for developing next-generation rechargeable batteries. However, the complexity in understanding the electrochemical behavior of transition metal dichalcogenides (TMD) material makes it more difficult to explore at different temperatures. Presenting intriguing properties, such as superconductivity, a larger interlayer spacing, a conversion-type charge storage mechanism, and cycling stability; niobium diselenide (NbSe₂) is a promising active material for the next generation of sodium-ion batteries (SIBs) and potassium-ion batteries (PIBs). To evaluate the electrochemical performance of NbSe₂ as an electrode for SIB and PIB over different temperatures, a systematic electrochemical approach is adopted to analyze its electrochemical performance, ion transport kinetics, and ion storage mechanism at three different temperatures (15 °C, 25 °C, and 45 °C). This study examines the temperature effect on electrochemical activity, highlighting the increase in reaction resistance during phase transition, as well as the rise in equilibrium potential due to lower temperatures. Additionally, a long-cycle (1000 cycles) stability study at high current density (1 A/g) provides an extensive view of the NbSe₂ material's performance at lower temperature (15 °C) and room temperature (25 °C) for both SIB and PIB. The denouement of this work provides comprehensive knowledge of the temperature-susceptible electrochemical properties of NbSe₂, paving the way for the development of a negative electrode for next-generation sodium-ion batteries.

了解温度与可充电电池材料电化学性能动态之间的关系对开发下一代可充电电池至关重要。然而，由于对过渡金属二硫族化合物（TMD）材料电化学行为理解的复杂性，使得研究其在不同温度下的电化学行为变得更加困难。呈现出有趣的特性，如超导性、更大的层间距、转换型电荷存储机制和循环稳定性；二硒化铌（NbSe2）是下一代钠离子电池（SIBs）和钾离子电池（PIBs）中很有前途的活性材料。为了评价NbSe2作为SIB和PIB电极在不同温度下的电化学性能，采用系统的电化学方法分析了NbSe2在15°C、25°C和45°C三种不同温度下的电化学性能、离子传递动力学和离子储存机理。本研究考察了温度对电化学活性的影响，强调了相变过程中反应阻力的增加，以及由于温度较低而导致的平衡电位的上升。此外，在高电流密度（1 a /g）下的长周期（1000个周期）稳定性研究为SIB和PIB在较低温度（15°C）和室温（25°C）下的NbSe2材料性能提供了广泛的视角。这项工作的结果提供了对NbSe2的温度敏感电化学特性的全面了解，为下一代钠离子电池负极的开发铺平了道路。

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引用次数: 0

Advanced design methodologies for heterogeneous electrode microstructures in lithium-ion batteries: From three-dimensional reconstruction to performance enhancement 锂离子电池非均质电极微结构的先进设计方法：从三维重建到性能增强

Future Batteries

Pub Date : 2025-12-10 DOI: 10.1016/j.fub.2025.100129

Shoubao Zhai , Kang Fu , Xingmin He , Wei Li , Xueyan Li , Lili Gong , Peng Tan

The rate capability, cycle life, and safety of lithium-ion batteries are fundamentally determined by the multiscale heterogeneous microstructure of the electrodes, whose spatial distribution governs the pathways for ion and electron transport as well as mechanical stability. Accurate three-dimensional reconstruction of electrode architectures is a critical bridge between material fabrication and multiphysics modeling. This work provides a systematic overview of mainstream reconstruction approaches and recent advances. We first introduce high-resolution imaging techniques and their applications for acquiring voxel-based representations of electrode microstructures. Four major reconstruction strategies are then summarized, including stochastic geometry-based methods, continuous random field modeling, voxel-based reconstructions from experimental imaging, and emerging data-driven approaches. Each category offers distinct advantages in terms of structural fidelity, computational efficiency, and suitability for multiphysics simulations. Particular emphasis is placed on voxel-based reconstructions, which uniquely enable the investigation of failure mechanisms such as heterogeneous growth of the solid electrolyte interphase (SEI) and the cathode electrolyte interphase (CEI), particle cracking, and pore evolution. The potential of data-driven methods for statistical equivalence, extrapolation from limited data, and inverse microstructural design is also highlighted. Finally, key challenges are summarized, including cross-scale consistency, multimodal data integration, uncertainty quantification, and physical interpretability. Future research directions are discussed with a focus on standardized datasets, physics-constrained generative models, and digital twin frameworks. This review aims to provide a methodological roadmap for the rational design of high-performance electrodes and to accelerate the transition from empirical development to data-driven and simulation-driven optimization.

锂离子电池的倍率性能、循环寿命和安全性从根本上取决于电极的多尺度非均质微观结构，其空间分布决定了离子和电子的传递途径以及机械稳定性。电极结构的精确三维重建是材料制造和多物理场建模之间的关键桥梁。这项工作提供了主流重建方法和最新进展的系统概述。我们首先介绍了高分辨率成像技术及其在获取电极微结构体素表示方面的应用。然后总结了四种主要的重建策略，包括基于随机几何的方法、连续随机场建模、基于实验成像的体素重建以及新兴的数据驱动方法。每个类别在结构保真度、计算效率和多物理场模拟适用性方面都具有独特的优势。特别强调的是基于体素的重建，它独特地研究了失效机制，如固体电解质界面（SEI）和阴极电解质界面（CEI）的非均相生长、颗粒开裂和孔隙演化。数据驱动方法在统计等效、有限数据外推和逆向微观结构设计方面的潜力也得到了强调。最后，总结了主要挑战，包括跨尺度一致性、多模态数据集成、不确定性量化和物理可解释性。讨论了未来的研究方向，重点是标准化数据集、物理约束生成模型和数字孪生框架。本综述旨在为高性能电极的合理设计提供一个方法论路线图，并加速从经验开发到数据驱动和模拟驱动优化的过渡。

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引用次数: 0

An additive-free approach for restoring the performance of vanadium redox flow batteries affected by V2O5 precipitation V2O5沉淀影响钒氧化还原液流电池性能的无添加剂恢复方法

Future Batteries

Pub Date : 2025-12-09 DOI: 10.1016/j.fub.2025.100130

Zhenyu Wang , Jing Sun , Zixiao Guo , Jiayou Ren , Xiaosa Xu , Jin Li , Jiadong Shen , Xinzhuang Fan , Tianshou Zhao

Vanadium redox flow batteries (VRFBs) face a significant challenge during high-temperature operation, as the precipitation of V₂O₅ on the positive side obstructs electrolyte flow, drastically diminishes battery capacity, and eventually leads to battery failure. While various additives have been explored to mitigate V₂O₅ precipitation, it continues to occur at temperatures exceeding 40 ℃. Unfortunately, there is a lack of research focused on effective methods for removing V₂O₅ from the battery system. The conventional approach requires disassembling the battery stacks to eliminate V₂O₅, a process that is not only labor-intensive and costly but also risks damaging the performance and components of the battery. In this study, we introduce an additive free strategy that enables the removal of V₂O₅ from the battery without the need for disassembly, thereby fully restoring battery capacity. This method is both efficient and simple, offering a cost-effective solution for V₂O₅ dissolution while potentially simplifying VRFB electrolyte manufacturing.

钒氧化还原液流电池（VRFBs）在高温运行中面临重大挑战，因为V2O5在正侧的沉淀阻碍了电解质的流动，严重降低了电池容量，最终导致电池失效。虽然已经探索了各种添加剂来减轻V2O5的析出，但在超过40℃的温度下仍会发生V2O5析出。不幸的是，缺乏研究集中在从电池系统中去除V2O5的有效方法上。传统的方法需要拆卸电池组以消除V2O5，这一过程不仅劳动密集，成本高昂，而且有可能损害电池的性能和组件。在这项研究中，我们引入了一种无添加剂的策略，可以在不需要拆卸的情况下从电池中去除V2O5，从而完全恢复电池容量。该方法既高效又简单，为V₂O₅溶解提供了经济高效的解决方案，同时有可能简化VRFB电解质的制造。

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引用次数: 0