Atomic-scale probing of short-range order and its impact on electrochemical properties in cation-disordered oxide cathodes.

ABSTRACT: Chemical short-range-order has been widely noticed to dictate the electrochemical properties of Li-excess cation-disordered rocksalt oxides, a class of cathode based on earth abundant elements for next-generation high-energy-density batteries. Existence of short-range-order is normally evidenced by a diffused intensity pattern in reciprocal space, however, derivation of local atomic arrangements of short-range-order in real space is hardly possible. Here, by a combination of aberration-corrected scanning transmission electron microscopy, electron diffraction, and cluster-expansion Monte Carlo simulations, we reveal the short-range-order is a convolution of three basic types: tetrahedron, octahedron, and cube. We discover that short-range-order directly correlates with Li percolation channe

SUBMITTER: Li L 

PROVIDER: S-EPMC10656575 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature