Van der Waals phase transition investigation toward high-voltage layered cathodes.

ABSTRACT: High-voltage phase transition constitutes the major barrier to accessing high energy density in layered cathodes. However, questions remain regarding the origin of phase transition, because the interlayer weak bonding features cannot get an accurate description by experiments. Here, we determined van der Waals (vdW) interaction (vdWi) in Li_xCoO₂ via visualizing its electron density, elucidating the origin of O3─O1 phase transition. The charge around oxygen is distorted by the increasing Co─O covalency. The charge distortion causes the difference of vdW gap between O3 and O1 phases, verified by a gap corrected vdW equation. In a high charging state, excessive covalency breaks the vdW gap balance, driving the O3 phase toward a stable O1 one. This interpretation o

SUBMITTER: Gao A 

PROVIDER: S-EPMC11323889 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature