Changliang Du , Youqi Zhu , Lifen Yang , Rong Jiang , Mingwei Jin , Qianwei Zhang , Siru He , Tinglu Song , Xilan Ma , Chuanbao Cao , Meishuai Zou
{"title":"Boosting anionic-cationic redox chemistry in anion-rich CuSe2 cathode toward high-energy magnesium batteries","authors":"Changliang Du , Youqi Zhu , Lifen Yang , Rong Jiang , Mingwei Jin , Qianwei Zhang , Siru He , Tinglu Song , Xilan Ma , Chuanbao Cao , Meishuai Zou","doi":"10.1016/j.ensm.2025.104304","DOIUrl":"10.1016/j.ensm.2025.104304","url":null,"abstract":"<div><div>Electrochemical Mg-Cu displacement is recognized as the prominent capacity-contribution reaction in copper-based chalcogenide cathodes. However, such one-sided mechanism experiences low discharge voltage plateau and thus restricts the exploitation of high-energy magnesium batteries. Herein, a synergetic cationic-anionic redox chemistry mechanism is revealed in anion-rich copper selenide (CuSe<sub>2</sub>) cathode for high-energy magnesium batteries. <em>Ex-situ</em> spectroscopic characterization and DFT calculations demonstrate the mechanism with high-voltage Se-Cl anionic redox chemistry and low-voltage cationic Mg-Cu replacement reaction. A series of copper selenides with controllable anion content are fabricated by phase engineering strategy via regulating the Se source concentration during selenization. The anion-rich CuSe<sub>2</sub> cathode shows both superior anionic and cationic redox reactions for Mg<sup>2+</sup> storage kinetics with considerable capacity of 440.6 mAh g<sup>–1</sup> and high energy density of 439.4 Wh kg<sup>–1</sup>. Based on the outstanding reaction kinetics, the CuSe<sub>2</sub> cathode also delivers remarkable rate capability with 169 mAh g<sup>–1</sup> at 2.0 A g<sup>–1</sup> and cycling life for 1500 cycles. Theoretical investigation suggests that the anion-rich phase can show the most effective adsorption of Mg<sup>2+</sup> and Cl<sup>–</sup> and the highest conductivity. This work unveils a brand-new anionic-cationic redox chemistry mechanism and provides a high-efficiency strategy for fabricating anion-rich copper selenides toward high-energy rechargeable magnesium batteries.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104304"},"PeriodicalIF":18.9,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Meng Xiao, Xiaopeng Fu, Zhian Zhang, Meng Ye, Lang Qiu, Zhenguo Wu, Fang Wan, Xiaodong Guo
{"title":"Surface defects induced by acid etching for promoting Ni-rich cathode regeneration","authors":"Meng Xiao, Xiaopeng Fu, Zhian Zhang, Meng Ye, Lang Qiu, Zhenguo Wu, Fang Wan, Xiaodong Guo","doi":"10.1016/j.ensm.2025.104307","DOIUrl":"10.1016/j.ensm.2025.104307","url":null,"abstract":"<div><div>Direct regeneration has been considered as the promising strategy for the recycling of spent LiNi<sub>x</sub>Co<sub>y</sub>Mn<sub>z</sub>O<sub>2</sub> (NCM) cathode materials. The spent NCM suffers from the lithium deficiency in the interior and the phase transition on the surface. The phase transition on the surface suppresses the Li<sup>+</sup> diffusion during the direct regeneration process. Surface acid etching is employed to eliminate by-products and degraded phases from spent NCM, aiming to mitigate the Li<sup>+</sup> diffusion barrier during regeneration. However, the underlying mechanism of this surface engineering on defect formation and material regeneration remains unclear. Here, we systematically investigated the surface acid etching process and regeneration mechanism of spent NCM. We reveal that controlled surface dissolution of metal ions induces the formation of oxygen vacancies. This enhances Li<sup>+</sup> adsorption on the spent NCM surface and facilitates Li<sup>+</sup> transport during regeneration process, thus effectively restoring the layered structure and lithium deficiency. Consequently, the regenerated NCM exhibits a discharge capacity of 192.9 mA h g<sup>-1</sup> at 0.1 C, surpassing that of the regenerated NCM without etching (188.1 mA h g<sup>-1</sup>). In addition, the regenerated NCM delivers a high-capacity retention of 92.6% after 100 cycles at 1 C, while that of the regenerated NCM without etching is only 68.8%. This finding provides mechanistic insight into the role of surface oxygen vacancies for promoting NCM regeneration.</div><div>Keywords</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104307"},"PeriodicalIF":18.9,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143910744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Xingyu Li , Songlin Yu , Xiaolin Zhao , Jianjun Liu
{"title":"Structural stability of layered oxides for sodium-ion batteries: Insights and strategies","authors":"Xingyu Li , Songlin Yu , Xiaolin Zhao , Jianjun Liu","doi":"10.1016/j.ensm.2025.104303","DOIUrl":"10.1016/j.ensm.2025.104303","url":null,"abstract":"<div><div>Sodium-ion batteries have garnered significant attention due to the notable advantages in resource availability and cost-effectiveness, offering an alternative solution to lithium-ion batteries. Layered oxide cathodes (LOCs), a key component of SIBs, are among the most commercially viable materials due to their low cost, ease of synthesis, and high theoretical capacity. However, challenges such as lattice defects and particle cracking caused by air exposure and electrochemical cycling lead to structural instability, resulting in capacity degradation and reduced cycle life. Addressing these issues requires multi-scale investigations, from atomic to macroscopic levels, to fully understand structural evolution. This review investigates the intrinsic mechanisms governing the structural stability of LOCs and discusses strategies for integrating multi-scale information, from atomic structure and material properties to electrochemical performance, to bridge theoretical and experimental research. Furthermore, we discuss effective approaches to enhance structural stability and outline future research directions to accelerate SIB commercialization and advance their role in energy storage.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104303"},"PeriodicalIF":18.9,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143905447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yuying Liu , Jie Yu , Xupeng Zhang , Donglai Han , Jie Bai , Heng-Guo Wang
{"title":"Heterocyclic conjugated planar polymers with strong π-electron delocalization as high-capacity cathodes for superior quasi-solid-state zinc-organic batteries","authors":"Yuying Liu , Jie Yu , Xupeng Zhang , Donglai Han , Jie Bai , Heng-Guo Wang","doi":"10.1016/j.ensm.2025.104302","DOIUrl":"10.1016/j.ensm.2025.104302","url":null,"abstract":"<div><div>Aqueous zinc-organic batteries (AZOBs) are emerging energy storage devices that maximized the realization of renewable resources, environmental benignity, and system inherent safety. However, the organic electrode materials still encounter the challenge of sluggish reaction kinetics and poor reversibility. Herein, two heterocyclic conjugated planar polymers (TA-PTO and TAB-PTO) were facilely synthesized and then applied as the cathode materials for AZOBs. The planar conjugated structure with strongly intermolecular interactions endows them with limited solubility and robust structural stability, while the heterocyclic conjugated structure with strong π-electron delocalization shows superior electron affinity and higher redox activity. Encouragingly, benefitting from robust synergistic multi <em>C</em> = <em>O</em> and <em>C</em> = <em>N</em> active centers, the well-designed TA-PTO cathode delivers ultrahigh specific capacity (469 mAh g<sup>-1</sup> at 0.2 A g<sup>-1</sup>) and long-term cycling stability (87.78 % capacity retention after 5000 cycles at 10 A <em>g</em><sup>−1</sup>) according to proton-insertion dominated <em>H</em><sup>+</sup>/Zn<sup>2+</sup> co-storage mechanism. Most importantly, the pouch-type quasi-solid-state AZOBs based on TA-PTO cathode display impressive electrochemical performance under different bending states, further highlighting the promising application prospect.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104302"},"PeriodicalIF":18.9,"publicationDate":"2025-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143909792","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Miao Ji, Dan Liu, Benben Peng, Yongjian Liu, Xingshu Liao, Deyu Qu
{"title":"Enabling durable electrolyte-free silicon anode in thin sulfide electrolyte membrane-based all-solid-state lithium batteries via failure mechanism study","authors":"Miao Ji, Dan Liu, Benben Peng, Yongjian Liu, Xingshu Liao, Deyu Qu","doi":"10.1016/j.ensm.2025.104301","DOIUrl":"10.1016/j.ensm.2025.104301","url":null,"abstract":"<div><div>The integration of sulfide solid-state electrolyte (SSE) membranes with silicon-based anodes presents a compelling pathway toward all-solid-state lithium batteries (ASSLBs) with unparalleled energy density and intrinsic safety. However, the compatibility between thin sulfide electrolyte membranes and volume-altering silicon-based anodes has rarely been explored. Here, we systematically investigate the failure mechanisms of electrolyte-free silicon-carbon (Si-C) anodes when paired with dry- or wet-processed sulfide SSE membranes, identifying two degradation pathways: (1) binder decomposition within SSE membranes and (2) stress concentration-induced interfacial delamination. To address these challenges, we engineer a wet-processed sulfide SSE membrane (∼50 μm thickness) by utilizing a chemically inert polyisobutylene (PIB) elastomer binder and a rigid polypropylene (PP) fabric scaffold. This design synergistically endows the SSE-PIB-PP composite membrane with elastic dissipation (411 MPa modulus) and mechanical reinforcement (34.7 MPa tensile strength) while maintaining high ionic conductivity (2.5 mS cm⁻¹). Operando pressure monitoring tests reveal that the membrane redistributes ∼35.5 % of internal stresses generated during Si volume swings, mitigating chemical decomposition and mechanical fracture. The optimized Li-In|SSE-PIB-PP|Si-C half cells deliver exceptional cyclability with 81.3 % capacity retention after 400 cycles (over 200 days) at 0.1C and a high initial delithiation capacity of 5.31 mAh cm<sup>−2</sup> at a loading of 7.63 mg cm<sup>−2</sup>. Furthermore, the assembled Si-C|SSE-PIB-PP|LiCoO<sub>2</sub> full cell exhibits decent cycling stability at 0.1C with a high cathode loading of 19.51 mg cm<sup>−2</sup>. This work demonstrates the potential of optimizing SSE membranes to address key challenges of alloy-type anodes in ASSLBs and provides critical insight for developing reliable high-energy-density ASSLBs.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104301"},"PeriodicalIF":18.9,"publicationDate":"2025-05-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Minhong Lim , Hongjun Chang , Gunyoung Kim , Jiyeon Seo , Beomjum Kim , Seungho Choe , Hochun Lee , Janghyuk Moon , Hongkyung Lee
{"title":"Interfacial impacts of diluent-mediated anion conformational changes in locally concentrated ionic liquid electrolytes","authors":"Minhong Lim , Hongjun Chang , Gunyoung Kim , Jiyeon Seo , Beomjum Kim , Seungho Choe , Hochun Lee , Janghyuk Moon , Hongkyung Lee","doi":"10.1016/j.ensm.2025.104288","DOIUrl":"10.1016/j.ensm.2025.104288","url":null,"abstract":"<div><div>Dilution methods employing weaker-solvating solvents as diluents have shown promise in reducing the viscosity of liquid electrolytes without disrupting the coordination between Li⁺ and anions. However, diluents alter the FSI<sup>−</sup> coordination conformation in locally concentrated ionic liquid electrolytes (LCILEs<span><span><sup>2</sup></span></span>) by occupying the interstitial space between the Li<sup>+</sup>−FSI<sup>−</sup> complex and Pyr<sub>13</sub><sup>+</sup>. The Li<sup>+</sup>−FSI<sup>−</sup> bond exhibits various energy states depending on the anion coordination conformation. By regulating the dilution extent, the HOMO level can be reduced, enabling higher voltage tolerance with fewer side reactions. Given that reinforcing the Li<sup>+</sup>−FSI<sup>−</sup> binding can contribute to reducing the HOMO level, TTE in-between Pyr<sub>13</sub><sup>+</sup> and FSI<sup>−</sup> possibly changes the anion conformation from bidentate to ambidentate coordination. Furthermore, moderate dilution promoting bidentate coordination facilitates the formation of a LiF-rich solid-electrolyte interphase (SEI<span><span><sup>3</sup></span></span>). Herein, we present an optimally diluted CILE (LCILE-T1) that demonstrates superior cycle stability in a pouch-type full cell operating at 4.7 V, achieving over 240 cycles.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104288"},"PeriodicalIF":18.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143901710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yanjiao Ma , Han Du , Siyuan Zheng , Zihao Zhou , Hehe Zhang , Yuan Ma , Stefano Passerini , Yuping Wu
{"title":"High-Entropy Approach vs. Traditional Doping Strategy for Layered Oxide Cathodes in Alkali-Metal-Ion Batteries: A Comparative Study","authors":"Yanjiao Ma , Han Du , Siyuan Zheng , Zihao Zhou , Hehe Zhang , Yuan Ma , Stefano Passerini , Yuping Wu","doi":"10.1016/j.ensm.2025.104295","DOIUrl":"10.1016/j.ensm.2025.104295","url":null,"abstract":"<div><div>The traditional doping strategy has emerged as an effective method for addressing challenges such as irreversible phase transitions and poor cycling stability in transition metal layered oxides (TMLOs), making them promising cathode materials for alkali-ion batteries (AIBs). Recently, high-entropy approaches, a new class of modification strategies, have been gaining increasing attention. While these two methods – doping strategy and high-entropy – demonstrate some similarities, they also exhibit distinct differences. However, a systematic review of these approaches has not been performed yet, and their unique electrochemical outcomes are often confused. Herein, we present a comparative analysis and systematic discussion of the traditional doping strategy and the innovative high-entropy approaches. Using layered oxide cathodes as specific examples, we initially explore the effects of single-atom doping at various sites and the synergistic effects of multi-atom doping. Subsequently, we highlight five unique effects of materials modified through the high-entropy approaches: structure stabilization, high disorder characteristics, the entropy extension effect, cocktail effect and entropy-enhanced local regulation. These properties significantly enhance battery cycling performance, distinguishing the high-entropy method from the conventional doping. We also summarized its application in AIBs. Finally, a summary and outlook are provided, offering insights for the design and optimization of next-generation layered oxide cathode materials.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"79 ","pages":"Article 104295"},"PeriodicalIF":18.9,"publicationDate":"2025-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143897672","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Quenching-induced surface reconstruction of perovskite oxides activating bifunctional sites towards oxygen electrodes for recharge zinc–air batteries","authors":"Kaixin Li , Ying Li , Xu Han , Qi Shao , Zhe Lü","doi":"10.1016/j.ensm.2025.104289","DOIUrl":"10.1016/j.ensm.2025.104289","url":null,"abstract":"<div><div>Exploring effective and dependable bifunctional oxygen electrode catalysts remains a persistent challenge for impeding the advancement of zinc-air batteries (ZABs). Herein, we propose an innovative solution quenching strategy to engineer a self-adaptive perovskite oxide/hydroxide heterojunction with dynamically reconfigurable active sites. Through deliberate Fe-ion doping and controlled oxygen defect engineering, this approach enables in situ surface reconstruction under operational conditions, effectively activating a lattice oxygen-mediated reaction pathway (LOM). The optimized quenched PrBaCo<sub>2</sub>O<sub>6-δ</sub> catalyst demonstrates exceptional bifunctionality with a remarkably reduced OER/ORR potential gap of 117 mV (<em>Δ<sub>E</sub> = E</em><sub>OER@10mA/cm²</sub> <em>- E</em><sub>ORR@E1/2</sub>), outperforming most reported perovskite analogs in alkaline media. When deployed in zinc-air batteries, the catalyst enables excellent cyclability with a record power conversion efficiency of 64.8% and maintains stability for 300 hrs of cycling with a cycle efficiency decay rate of less than 7.3%. Our findings not only provide novel perspectives for designing self-optimizing electrocatalysts through defect-mediated phase engineering but also provide a paradigm for high-stability Zn-Air battery systems.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"78 ","pages":"Article 104289"},"PeriodicalIF":18.9,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143880890","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yeongnam Ko , Seungho Yu , Songi Song , Ki Chul Kim
{"title":"Evolutionary mapping across vast genetic space drives the discovery of causal gene blocks for designing high-potential aromatic cathodes","authors":"Yeongnam Ko , Seungho Yu , Songi Song , Ki Chul Kim","doi":"10.1016/j.ensm.2025.104275","DOIUrl":"10.1016/j.ensm.2025.104275","url":null,"abstract":"<div><div>Optimizing redox-active organic compounds is crucial for next-generation battery technologies, particularly because these compounds show promise as sustainable, high-performance cathode materials. Despite the potential of aromatic architectures to enhance electronic conductivity, the perception that aromatic backbones hinder redox properties has discouraged their use in cathode design. In this study, we introduce a genetic algorithm-assisted protocol for optimizing the redox potential of aromatic benzene-framed organic compounds. Leveraging a genetic algorithm and density functional theory calculations, we navigate a vast chemical space of 30 genetic components to identify promising compounds. The top-performing candidate has a redox potential of 3.11 V vs. Li/Li<sup>+</sup>, surpassing traditional non-aromatic 1,4-benzoquinone. The key to success is the identification of critical gene combinations, particularly involving boron and phosphorus as well as bent polar carbonyl groups, which significantly enhances electron affinity. This study provides a scalable framework for efficiently optimizing organic cathode materials through the iterative genetic reorganizations of building blocks. These findings pave the way for the accelerated development of advanced energy storage systems through computational material design.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"78 ","pages":"Article 104275"},"PeriodicalIF":18.9,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143867212","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinrong Su , Hanghang Yan , Yaohong Xiao , Wenhua Yang , Zhuo Wang , Xinxin Yao , Hossein Abbasi , Lei Chen
{"title":"Dual-scale model enabled explainable-AI toward decoding internal short circuit risk of lithium metal batteries","authors":"Jinrong Su , Hanghang Yan , Yaohong Xiao , Wenhua Yang , Zhuo Wang , Xinxin Yao , Hossein Abbasi , Lei Chen","doi":"10.1016/j.ensm.2025.104286","DOIUrl":"10.1016/j.ensm.2025.104286","url":null,"abstract":"<div><div>The commercialization of lithium metal batteries (LMBs) is blocked by the dendrite-induced internal short-circuits (ISC). However, its risk assessment is hampered by trial-and-error testing and original structure-destructive-induced misleading data. Here, we develop an explainable physical-based data-driven framework, where the transparent assessment of Li dendrite-induced ISC risk is achieved from two aspects. In physics, a dual-scale model integrating microscopic lithium (Li) dendrite simulations with macroscopic ISC model, thus enabling the interpretable connection among the internal microstructure evolution, the cell voltage, and ISC risk, which is not attainable by conventional cell-level ISC models without modeling internal states. In the artificial intelligence (AI) perspective, different from traditional machine learning (ML) models as a “black box\", explainable-AI (XAI) analyses over an ML-based ISC surrogate model can quantify both global and local insights into the importance of various factors in ISC risk. SHAP (SHapley Additive exPlanations) analysis identifies grain boundary defects and electrolyte thickness as the most influential factors, followed by charging rate, stack pressure, grain size, contact loss, and ionic conductivity. PDP (Partial Dependence Plots) provides local insights, revealing safety thresholds where higher grain boundary defects (>16.93 GPa), longer electrolyte thickness (>200 µm), charging rate near 0.91C, and grain size around 100 µm significantly mitigate ISC risks. The explainable physical-based data-driven framework is general and readily customized to various batteries and energy systems.</div></div>","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"78 ","pages":"Article 104286"},"PeriodicalIF":18.9,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143878066","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}