{"title":"储能材料中离子迁移率的计算筛选和描述符","authors":"Mohsen Sotoudeh , Axel Groß","doi":"10.1016/j.coelec.2024.101494","DOIUrl":null,"url":null,"abstract":"<div><p>Ion mobility in electrolytes and electrodes is a critical factor influencing the performance of batteries. Low ion mobility is, for example, one of the major factors reducing the range of battery-electric vehicles in winter. On the other hand, with respect to the ion mobility in battery cathode materials, there are scaling relations linking large insertion energies and thus high voltages with high migration barriers corresponding to low ion mobility. Consequently, a compromise has to be made between these two conflicting properties. In this opinion, we will address how computational screening and the identification of descriptors can accelerate the search for solid battery materials with improved ion migration properties, but we will also discuss how the scaling relations linking reaction and activation energies might be overcome.</p></div>","PeriodicalId":11028,"journal":{"name":"Current Opinion in Electrochemistry","volume":"46 ","pages":"Article 101494"},"PeriodicalIF":7.9000,"publicationDate":"2024-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2451910324000553/pdfft?md5=b4c34c04dae8cc19ec9bb418d8348089&pid=1-s2.0-S2451910324000553-main.pdf","citationCount":"0","resultStr":"{\"title\":\"Computational screening and descriptors for the ion mobility in energy storage materials\",\"authors\":\"Mohsen Sotoudeh , Axel Groß\",\"doi\":\"10.1016/j.coelec.2024.101494\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Ion mobility in electrolytes and electrodes is a critical factor influencing the performance of batteries. Low ion mobility is, for example, one of the major factors reducing the range of battery-electric vehicles in winter. On the other hand, with respect to the ion mobility in battery cathode materials, there are scaling relations linking large insertion energies and thus high voltages with high migration barriers corresponding to low ion mobility. Consequently, a compromise has to be made between these two conflicting properties. In this opinion, we will address how computational screening and the identification of descriptors can accelerate the search for solid battery materials with improved ion migration properties, but we will also discuss how the scaling relations linking reaction and activation energies might be overcome.</p></div>\",\"PeriodicalId\":11028,\"journal\":{\"name\":\"Current Opinion in Electrochemistry\",\"volume\":\"46 \",\"pages\":\"Article 101494\"},\"PeriodicalIF\":7.9000,\"publicationDate\":\"2024-04-12\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.sciencedirect.com/science/article/pii/S2451910324000553/pdfft?md5=b4c34c04dae8cc19ec9bb418d8348089&pid=1-s2.0-S2451910324000553-main.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Current Opinion in Electrochemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2451910324000553\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Current Opinion in Electrochemistry","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2451910324000553","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Computational screening and descriptors for the ion mobility in energy storage materials
Ion mobility in electrolytes and electrodes is a critical factor influencing the performance of batteries. Low ion mobility is, for example, one of the major factors reducing the range of battery-electric vehicles in winter. On the other hand, with respect to the ion mobility in battery cathode materials, there are scaling relations linking large insertion energies and thus high voltages with high migration barriers corresponding to low ion mobility. Consequently, a compromise has to be made between these two conflicting properties. In this opinion, we will address how computational screening and the identification of descriptors can accelerate the search for solid battery materials with improved ion migration properties, but we will also discuss how the scaling relations linking reaction and activation energies might be overcome.
期刊介绍:
The development of the Current Opinion journals stemmed from the acknowledgment of the growing challenge for specialists to stay abreast of the expanding volume of information within their field. In Current Opinion in Electrochemistry, they help the reader by providing in a systematic manner:
1.The views of experts on current advances in electrochemistry in a clear and readable form.
2.Evaluations of the most interesting papers, annotated by experts, from the great wealth of original publications.
In the realm of electrochemistry, the subject is divided into 12 themed sections, with each section undergoing an annual review cycle:
• Bioelectrochemistry • Electrocatalysis • Electrochemical Materials and Engineering • Energy Storage: Batteries and Supercapacitors • Energy Transformation • Environmental Electrochemistry • Fundamental & Theoretical Electrochemistry • Innovative Methods in Electrochemistry • Organic & Molecular Electrochemistry • Physical & Nano-Electrochemistry • Sensors & Bio-sensors •