Resolving the true sodium storage sites in hard carbon: the essential role of hydrogen termination
This study establishes realistic defect structure models that incorporate H-termination. Utilizing these models through first-principles calculations, we determine the atomic configurations of Na storage sites under realistic conditions.
Authors
- Xingqiao Wu (ORCID: https://orcid.org/0000-0002-3140-6981)
- Yifan Li (ORCID: https://orcid.org/0009-0005-3794-1984)
- Shulei Chou (ORCID: https://orcid.org/0000-0003-1155-6082)
- Sean Campbell Smith (ORCID: https://orcid.org/0000-0002-5679-8205)
- Xin Tan (ORCID: https://orcid.org/0000-0001-9515-2346)
- Xiaojing Li (ORCID: https://orcid.org/0000-0002-9435-0866)
Institutions
- Zhejiang International Studies University (CN)
- Australian National University (AU)
- Wenzhou University (CN)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-12-09
- DOI
- https://doi.org/10.1039/d5ta08433d
- Primary Topic
- Graphene research and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00