{"title":"计算材料科学的最新进展推动了可充电电池的发展","authors":"Miao Tian, Zhitao Wang, Hui Ying Yang, Song Chen","doi":"10.1002/aenm.202403443","DOIUrl":null,"url":null,"abstract":"Rechargeable batteries have been regarded as a truly transformative technology, providing energy storage for portable electronics, power tools, and even electric vehicles. Unfortunately, the practical applications of new battery systems are postponed by some inevitable technical bottlenecks. Sometimes the technical know-how gained from the current state-of-the-art lithium-based batteries is untransferable. Therefore, with the continuous development of chemistry, materials and physics, computational materials science has gradually become crucial in supporting the field of rechargeable batteries technically. In this review, brief overviews of computational methods are first presented for the research of battery materials. The study then summarizes the recent advances of computational techniques in assisting experimental analyses, elucidating reaction mechanisms, and exploring new materials. Finally, the challenges and perspectives for future computational research are prospected. This review is anticipated to stimulate design inspiration of novel materials and structures with the assistance of theoretical simulations toward advanced energy storage systems.","PeriodicalId":111,"journal":{"name":"Advanced Energy Materials","volume":null,"pages":null},"PeriodicalIF":24.4000,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Recent Progress in Computational Materials Science Boosting Development of Rechargeable Batteries\",\"authors\":\"Miao Tian, Zhitao Wang, Hui Ying Yang, Song Chen\",\"doi\":\"10.1002/aenm.202403443\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Rechargeable batteries have been regarded as a truly transformative technology, providing energy storage for portable electronics, power tools, and even electric vehicles. Unfortunately, the practical applications of new battery systems are postponed by some inevitable technical bottlenecks. Sometimes the technical know-how gained from the current state-of-the-art lithium-based batteries is untransferable. Therefore, with the continuous development of chemistry, materials and physics, computational materials science has gradually become crucial in supporting the field of rechargeable batteries technically. In this review, brief overviews of computational methods are first presented for the research of battery materials. The study then summarizes the recent advances of computational techniques in assisting experimental analyses, elucidating reaction mechanisms, and exploring new materials. Finally, the challenges and perspectives for future computational research are prospected. This review is anticipated to stimulate design inspiration of novel materials and structures with the assistance of theoretical simulations toward advanced energy storage systems.\",\"PeriodicalId\":111,\"journal\":{\"name\":\"Advanced Energy Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":24.4000,\"publicationDate\":\"2024-09-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Energy Materials\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1002/aenm.202403443\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Energy Materials","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1002/aenm.202403443","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Recent Progress in Computational Materials Science Boosting Development of Rechargeable Batteries
Rechargeable batteries have been regarded as a truly transformative technology, providing energy storage for portable electronics, power tools, and even electric vehicles. Unfortunately, the practical applications of new battery systems are postponed by some inevitable technical bottlenecks. Sometimes the technical know-how gained from the current state-of-the-art lithium-based batteries is untransferable. Therefore, with the continuous development of chemistry, materials and physics, computational materials science has gradually become crucial in supporting the field of rechargeable batteries technically. In this review, brief overviews of computational methods are first presented for the research of battery materials. The study then summarizes the recent advances of computational techniques in assisting experimental analyses, elucidating reaction mechanisms, and exploring new materials. Finally, the challenges and perspectives for future computational research are prospected. This review is anticipated to stimulate design inspiration of novel materials and structures with the assistance of theoretical simulations toward advanced energy storage systems.
期刊介绍:
Established in 2011, Advanced Energy Materials is an international, interdisciplinary, English-language journal that focuses on materials used in energy harvesting, conversion, and storage. It is regarded as a top-quality journal alongside Advanced Materials, Advanced Functional Materials, and Small.
With a 2022 Impact Factor of 27.8, Advanced Energy Materials is considered a prime source for the best energy-related research. The journal covers a wide range of topics in energy-related research, including organic and inorganic photovoltaics, batteries and supercapacitors, fuel cells, hydrogen generation and storage, thermoelectrics, water splitting and photocatalysis, solar fuels and thermosolar power, magnetocalorics, and piezoelectronics.
The readership of Advanced Energy Materials includes materials scientists, chemists, physicists, and engineers in both academia and industry. The journal is indexed in various databases and collections, such as Advanced Technologies & Aerospace Database, FIZ Karlsruhe, INSPEC (IET), Science Citation Index Expanded, Technology Collection, and Web of Science, among others.