Lattice Contraction‐Induced V 3d Orbital Splitting for Achieving High‐Energy‐Density Na <sub>3</sub> V <sub>2</sub> (PO <sub>4</sub> ) <sub>3</sub> Cathodes
). In contrast, Mn or Co dopants cause lattice expansion and fail to trigger either orbital splitting or redox activity. We thus establish lattice contraction-mediated orbital splitting as a universal electronic descriptor for high-voltage activation in NVP, thereby establishing a general principle for the rational design of high-energy-density electrodes through targeted orbital engineering.
Authors
- Qiquan Luo (ORCID: https://orcid.org/0000-0003-1450-2856)
- Shiting Qian
- Zhuangzhuang Fang
- Wanli Ding
- Deyun Hu
- Yaochen Bai
- Shan Gao
- Ruili Zhang
- Yang Huang
Institutions
- University of Science and Technology of China (CN)
- Anhui University (CN)
- Hefei Institutes of Physical Science (CN)
Publication Details
- Journal
- Small
- Published
- 2026-04-30
- DOI
- https://doi.org/10.1002/smll.73599
- Primary Topic
- Advancements in Battery Materials
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China
- Anhui University