Learning from combined XRD and DFT data unveils critical structural details in Na <sub> <i>x</i> </sub> CrO <sub>2</sub> electrochemical evolution
In situ XRD shows an unusual shift of superstructure peaks in the battery cycling of NaCrO 2 . A large Na vacancy nano-stripe, likely coupled with reversible Cr migration, is unveiled by XRD and DFT analyses to be embedded in Na density waves.
Authors
- Yuchuang Cao (ORCID: https://orcid.org/0000-0003-4769-0566)
- Xi Chen (ORCID: https://orcid.org/0000-0002-1581-4627)
- Xin Li (ORCID: https://orcid.org/0000-0001-9390-0830)
Institutions
- Harvard University (US)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5ta00890e
- Primary Topic
- Advancements in Battery Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Meta