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説明:

Overall, this roadmap originating from 20 groups in 11 countries serves as a gateway for both the experts and the beginners to have a quick overview of the current status and corresponding challenges in molecular modelling of electrochemical energy materials for batteries, supercapacitors, CO2RR, and fuel cell applications. It is not intended to be a comprehensive review, rather they are opinions of leading experts in their respective domains. Therefore, topics such as solid electrolytes (both ceramic and polymer), descriptor engineering of electrocatalysts and their ML discovery, are not included in this collection and can be found elsewhere.

権利情報:

• Creative Commons BY Attribution 4.0 International
  

キーワード: electrochemical interfaces, density-functional theory, molecular dynamics simulation, electrochemical energy storage, machine learning, electrocatalysis

刊行年月日: 2023-10-01

出版者: IOP Publishing

掲載誌:

• Journal of Physics-Energy (ISSN: 25157655) vol. 5 issue. 4 p. 41501-41501

研究助成金:

• JSPS JP21K05263 (リチウムおよびナトリウム系電解質の電気化学安定性を支配する制御因子の究明)
• JST JPMJPF2016 (先進蓄電池研究開発拠点)

原稿種別: 出版者版 (Version of record)

MDR DOI:

公開URL: https://doi.org/10.1088/2515-7655/acfe9b

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更新時刻: 2024-03-22 00:53:39 +0900

MDRでの公開時刻: 2024-03-05 16:30:28 +0900