Pengjin Huang, Zhengwei Yang, Yue Liu, Peijun Yu, Bo Liu, Miao Xu, Maxim Avdeev, Siqi Shi
{"title":"超过400种无机-聚合物复合固态电解质的组成-加工-性能参数数据库","authors":"Pengjin Huang, Zhengwei Yang, Yue Liu, Peijun Yu, Bo Liu, Miao Xu, Maxim Avdeev, Siqi Shi","doi":"10.1002/adts.202501125","DOIUrl":null,"url":null,"abstract":"Inorganic‐polymer composite solid‐state electrolytes (IPCSEs), which combine the advantages of inorganic fillers and polymer matrices, have emerged as promising candidates for all‐solid‐state batteries. However, achieving high ionic conductivity at room‐temperature remains challenging due to interfacial phase effects, percolation‐threshold limitations, and processing‐induced structural defects. Moreover, the fragmentation and heterogeneity of existing literature data complicates systematic optimization, necessitating a unified database for data‐driven discovery. Here, a comprehensive and traceable database is constructed by extracting and consolidating data from peer‐reviewed literature, encompassing material compositions, processing conditions, and electrolyte performance for over 400 IPCSEs. Through Pearson correlation analysis, which quantifies a linear relationship between variables, key factors influencing ionic conductivity are identified, including filler type, content, and morphology. To validate the database's utility, a machine‐learning‐ready dataset is constructed and tassorted predictive models are trained. Experimental results show that the ionic conductivity prediction performance of support vector regression reaches an R<jats:sup>2</jats:sup> of 0.90, demonstrating high‐quality of the dataset and the promising utility for design optimization and quantitative assessment of composition‐processing‐performance relationships. This work not only offers a structural database for artificial‐intelligence‐driven electrolyte development but also translates data‐driven insights into practical tools for advancing solid‐state battery materials.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"137 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Database of Composition‐Processing‐Performance Parameters for over 400 Inorganic‐Polymer Composite Solid‐State Electrolytes\",\"authors\":\"Pengjin Huang, Zhengwei Yang, Yue Liu, Peijun Yu, Bo Liu, Miao Xu, Maxim Avdeev, Siqi Shi\",\"doi\":\"10.1002/adts.202501125\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Inorganic‐polymer composite solid‐state electrolytes (IPCSEs), which combine the advantages of inorganic fillers and polymer matrices, have emerged as promising candidates for all‐solid‐state batteries. However, achieving high ionic conductivity at room‐temperature remains challenging due to interfacial phase effects, percolation‐threshold limitations, and processing‐induced structural defects. Moreover, the fragmentation and heterogeneity of existing literature data complicates systematic optimization, necessitating a unified database for data‐driven discovery. Here, a comprehensive and traceable database is constructed by extracting and consolidating data from peer‐reviewed literature, encompassing material compositions, processing conditions, and electrolyte performance for over 400 IPCSEs. Through Pearson correlation analysis, which quantifies a linear relationship between variables, key factors influencing ionic conductivity are identified, including filler type, content, and morphology. To validate the database's utility, a machine‐learning‐ready dataset is constructed and tassorted predictive models are trained. Experimental results show that the ionic conductivity prediction performance of support vector regression reaches an R<jats:sup>2</jats:sup> of 0.90, demonstrating high‐quality of the dataset and the promising utility for design optimization and quantitative assessment of composition‐processing‐performance relationships. This work not only offers a structural database for artificial‐intelligence‐driven electrolyte development but also translates data‐driven insights into practical tools for advancing solid‐state battery materials.\",\"PeriodicalId\":7219,\"journal\":{\"name\":\"Advanced Theory and Simulations\",\"volume\":\"137 1\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-08-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Theory and Simulations\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1002/adts.202501125\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MULTIDISCIPLINARY SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1002/adts.202501125","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
A Database of Composition‐Processing‐Performance Parameters for over 400 Inorganic‐Polymer Composite Solid‐State Electrolytes
Inorganic‐polymer composite solid‐state electrolytes (IPCSEs), which combine the advantages of inorganic fillers and polymer matrices, have emerged as promising candidates for all‐solid‐state batteries. However, achieving high ionic conductivity at room‐temperature remains challenging due to interfacial phase effects, percolation‐threshold limitations, and processing‐induced structural defects. Moreover, the fragmentation and heterogeneity of existing literature data complicates systematic optimization, necessitating a unified database for data‐driven discovery. Here, a comprehensive and traceable database is constructed by extracting and consolidating data from peer‐reviewed literature, encompassing material compositions, processing conditions, and electrolyte performance for over 400 IPCSEs. Through Pearson correlation analysis, which quantifies a linear relationship between variables, key factors influencing ionic conductivity are identified, including filler type, content, and morphology. To validate the database's utility, a machine‐learning‐ready dataset is constructed and tassorted predictive models are trained. Experimental results show that the ionic conductivity prediction performance of support vector regression reaches an R2 of 0.90, demonstrating high‐quality of the dataset and the promising utility for design optimization and quantitative assessment of composition‐processing‐performance relationships. This work not only offers a structural database for artificial‐intelligence‐driven electrolyte development but also translates data‐driven insights into practical tools for advancing solid‐state battery materials.
期刊介绍:
Advanced Theory and Simulations is an interdisciplinary, international, English-language journal that publishes high-quality scientific results focusing on the development and application of theoretical methods, modeling and simulation approaches in all natural science and medicine areas, including:
materials, chemistry, condensed matter physics
engineering, energy
life science, biology, medicine
atmospheric/environmental science, climate science
planetary science, astronomy, cosmology
method development, numerical methods, statistics