Publication
2023 Roadmap on molecular modelling of electrochemical energy materials
MDR Open Deposited
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.
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- 30/10/2023
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74_Roadmap_J Phys Energy 2023_Roadmap on molecular modelling of electrochemical energy materials.pdf | 4.47 MB | MDR Open |
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