Pub Date : 2026-01-06DOI: 10.1016/j.ensm.2026.104877
Xin Gao, Ya Chen, Bin Fang, Xiaodong Chen, Runjing Xu, Tao Meng, Ling Huang, Peiyi Ji, Long Bao, Hongchao Sun, Lifeng Cui, Gang Tan, Guoxiu Wang
{"title":"Engineering Ultra-Stable Composite Cathodes via Multifunctional Conductive Additive Architectures to Stabilize Li6PS5Cl-Based All-Solid-State Lithium Batteries","authors":"Xin Gao, Ya Chen, Bin Fang, Xiaodong Chen, Runjing Xu, Tao Meng, Ling Huang, Peiyi Ji, Long Bao, Hongchao Sun, Lifeng Cui, Gang Tan, Guoxiu Wang","doi":"10.1016/j.ensm.2026.104877","DOIUrl":"https://doi.org/10.1016/j.ensm.2026.104877","url":null,"abstract":"","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"29 1","pages":""},"PeriodicalIF":20.4,"publicationDate":"2026-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145902960","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}
Pub Date : 2026-01-03DOI: 10.1016/j.ensm.2026.104873
Jun Hyeong Gu, Hyeon Kim, Eun Ho Kim, Changhun Kim, Hyo Gyeong Shin, Donghwa Lee
Multi-redox organic cathodes offer a promising route toward high-capacity, sustainable energy storage by enabling multiple sequential redox reactions. However, the development of these materials is hindered by conventional computational screening methods, which typically simplify the lithiation process and thus fail to accurately predict their key cathodic properties. To address this, we develop AutoVoltage, a computational workflow that automates the simulation of the complete sequential lithiation process, enabling a comprehensive and accurate prediction of cathodic properties. Applying our framework to a large-scale screening of the PubChem database, we identify 202 optimal candidates with outstanding specific energies exceeding 1,000 Wh/kg. A subsequent data-driven analysis of these candidates reveals three distinct structural clusters: a functional cluster (FC), a polycyclic cluster (PC), and a branched cluster (BC). Our analysis establishes that distinct structural patterns govern key cathodic properties. The electron-withdrawing groups of the FC elevate voltage by creating an environment with reduced electron density, while the fused structures of the PC maximize capacity via high redox center density. Furthermore, the branched architecture of the BC promotes a low voltage slope through the structural separation of redox centers. This work provides not only a powerful screening methodology and a pool of high-performance materials but also a set of fundamental structural design principles for the rational development of next-generation organic cathodes.
{"title":"From High-Throughput Discovery to Molecular Design Principles of Multi-Redox Lithium-ion Organic Cathodes","authors":"Jun Hyeong Gu, Hyeon Kim, Eun Ho Kim, Changhun Kim, Hyo Gyeong Shin, Donghwa Lee","doi":"10.1016/j.ensm.2026.104873","DOIUrl":"https://doi.org/10.1016/j.ensm.2026.104873","url":null,"abstract":"Multi-redox organic cathodes offer a promising route toward high-capacity, sustainable energy storage by enabling multiple sequential redox reactions. However, the development of these materials is hindered by conventional computational screening methods, which typically simplify the lithiation process and thus fail to accurately predict their key cathodic properties. To address this, we develop AutoVoltage, a computational workflow that automates the simulation of the complete sequential lithiation process, enabling a comprehensive and accurate prediction of cathodic properties. Applying our framework to a large-scale screening of the PubChem database, we identify 202 optimal candidates with outstanding specific energies exceeding 1,000 Wh/kg. A subsequent data-driven analysis of these candidates reveals three distinct structural clusters: a functional cluster (FC), a polycyclic cluster (PC), and a branched cluster (BC). Our analysis establishes that distinct structural patterns govern key cathodic properties. The electron-withdrawing groups of the FC elevate voltage by creating an environment with reduced electron density, while the fused structures of the PC maximize capacity via high redox center density. Furthermore, the branched architecture of the BC promotes a low voltage slope through the structural separation of redox centers. This work provides not only a powerful screening methodology and a pool of high-performance materials but also a set of fundamental structural design principles for the rational development of next-generation organic cathodes.","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"41 1","pages":""},"PeriodicalIF":20.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145895144","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}
Pub Date : 2026-01-02DOI: 10.1016/j.ensm.2025.104856
Bingbing Wang, Jingke Zhang, Zhen Tian, Li Guo, Yanjun Chen
The authors regret
作者感到遗憾
{"title":"Corrigendum to ‘Strain compensation lattice engineering with low ionic potential modulates V D-band center up-shifting to accelerate kinetics for high performance Na3V2(PO4)3’ ","authors":"Bingbing Wang, Jingke Zhang, Zhen Tian, Li Guo, Yanjun Chen","doi":"10.1016/j.ensm.2025.104856","DOIUrl":"https://doi.org/10.1016/j.ensm.2025.104856","url":null,"abstract":"The authors regret","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"171 1","pages":"104856"},"PeriodicalIF":20.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145895237","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}
Pub Date : 2026-01-02DOI: 10.1016/j.ensm.2025.104859
Yangze Huang, Ming Jin, Yong Zang, Bo Chen, Huoqiang Tang, Shi Liu, Yajie Liu, Zhixin Tai
{"title":"Crosslinking-enhanced Ratio of Coupling Ions to Achieve Efficient Sodium Transport in Eutectic Cellulose Gel Electrolytes","authors":"Yangze Huang, Ming Jin, Yong Zang, Bo Chen, Huoqiang Tang, Shi Liu, Yajie Liu, Zhixin Tai","doi":"10.1016/j.ensm.2025.104859","DOIUrl":"https://doi.org/10.1016/j.ensm.2025.104859","url":null,"abstract":"","PeriodicalId":306,"journal":{"name":"Energy Storage Materials","volume":"37 1","pages":""},"PeriodicalIF":20.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145895214","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}
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