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- Shin, Seung-Jae
- THeoretical Energy Materials Modelling for Engineering & Science
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| DC Field | Value | Language |
|---|---|---|
| dc.citation.number | 4 | - |
| dc.citation.startPage | 041501 | - |
| dc.citation.title | JOURNAL OF PHYSICS-ENERGY | - |
| dc.citation.volume | 5 | - |
| dc.contributor.author | Zhang, Chao | - |
| dc.contributor.author | Cheng, Jun | - |
| dc.contributor.author | Chen, Yiming | - |
| dc.contributor.author | Chan, Maria K. Y. | - |
| dc.contributor.author | Cai, Qiong | - |
| dc.contributor.author | Carvalho, Rodrigo P. | - |
| dc.contributor.author | Marchiori, Cleber F. N. | - |
| dc.contributor.author | Brandell, Daniel | - |
| dc.contributor.author | Araujo, C. Moyses | - |
| dc.contributor.author | Chen, Ming | - |
| dc.contributor.author | Ji, Xiangyu | - |
| dc.contributor.author | Feng, Guang | - |
| dc.contributor.author | Goloviznina, Kateryna | - |
| dc.contributor.author | Serva, Alessandra | - |
| dc.contributor.author | Salanne, Mathieu | - |
| dc.contributor.author | Mandai, Toshihiko | - |
| dc.contributor.author | Hosaka, Tomooki | - |
| dc.contributor.author | Alhanash, Mirna | - |
| dc.contributor.author | Johansson, Patrik | - |
| dc.contributor.author | Qiu, Yun-Ze | - |
| dc.contributor.author | Xiao, Hai | - |
| dc.contributor.author | Eikerling, Michael | - |
| dc.contributor.author | Jinnouchi, Ryosuke | - |
| dc.contributor.author | Melander, Marko M. | - |
| dc.contributor.author | Kastlunger, Georg | - |
| dc.contributor.author | Bouzid, Assil | - |
| dc.contributor.author | Pasquarello, Alfredo | - |
| dc.contributor.author | Shin, Seung-Jae | - |
| dc.contributor.author | Kim, Minho M. | - |
| dc.contributor.author | Kim, Hyungjun | - |
| dc.contributor.author | Schwarz, Kathleen | - |
| dc.contributor.author | Sundararaman, Ravishankar | - |
| dc.date.accessioned | 2024-10-07T14:05:07Z | - |
| dc.date.available | 2024-10-07T14:05:07Z | - |
| dc.date.created | 2024-10-07 | - |
| dc.date.issued | 2023-10 | - |
| dc.description.abstract | New materials for electrochemical energy storage and conversion are the key to the electrification and sustainable development of our modern societies. Molecular modelling based on the principles of quantum mechanics and statistical mechanics as well as empowered by machine learning techniques can help us to understand, control and design electrochemical energy materials at atomistic precision. Therefore, this roadmap, which is a collection of authoritative opinions, 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, CO2 reduction reaction, and fuel cell applications. | - |
| dc.identifier.bibliographicCitation | JOURNAL OF PHYSICS-ENERGY, v.5, no.4, pp.041501 | - |
| dc.identifier.doi | 10.1088/2515-7655/acfe9b | - |
| dc.identifier.issn | 2515-7655 | - |
| dc.identifier.scopusid | 2-s2.0-85177181901 | - |
| dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/84007 | - |
| dc.identifier.wosid | 001090149100001 | - |
| dc.language | 영어 | - |
| dc.publisher | IOP Publishing Ltd | - |
| dc.title | 2023 Roadmap on molecular modelling of electrochemical energy materials | - |
| dc.type | Article | - |
| dc.description.isOpenAccess | TRUE | - |
| dc.relation.journalWebOfScienceCategory | Energy & Fuels; Materials Science, Multidisciplinary | - |
| dc.relation.journalResearchArea | Energy & Fuels; Materials Science | - |
| dc.type.docType | Article | - |
| dc.description.journalRegisteredClass | scie | - |
| dc.description.journalRegisteredClass | scopus | - |
| dc.subject.keywordAuthor | density-functional theory | - |
| dc.subject.keywordAuthor | molecular dynamics simulation | - |
| dc.subject.keywordAuthor | electrochemical energy storage | - |
| dc.subject.keywordAuthor | machine learning | - |
| dc.subject.keywordAuthor | electrocatalysis | - |
| dc.subject.keywordAuthor | electrochemical interfaces | - |
| dc.subject.keywordPlus | DENSITY-FUNCTIONAL THEORY | - |
| dc.subject.keywordPlus | ORGANIC ELECTRODE MATERIALS | - |
| dc.subject.keywordPlus | SINGLE-ATOM CATALYSTS | - |
| dc.subject.keywordPlus | STRUCTURE-PROPERTY RELATIONSHIPS | - |
| dc.subject.keywordPlus | DOUBLE-LAYER | - |
| dc.subject.keywordPlus | IONIC LIQUIDS | - |
| dc.subject.keywordPlus | CO2 REDUCTION | - |
| dc.subject.keywordPlus | 1ST-PRINCIPLES SIMULATION | - |
| dc.subject.keywordPlus | DYNAMICS SIMULATIONS | - |
| dc.subject.keywordPlus | REACTION-MECHANISMS | - |
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