Coulombically-stabilized oxygen hole polarons enable fully reversible oxygen redox.

ABSTRACT: Stabilizing high-valent redox couples and exotic electronic states necessitate an understanding of the stabilization mechanism. In oxides, whether they are being considered for energy storage or computing, highly oxidized oxide-anion species rehybridize to form short covalent bonds and are related to significant local structural distortions. In intercalation oxide electrodes for batteries, while such reorganization partially stabilizes oxygen redox, it also gives rise to substantial hysteresis. In this work, we investigate oxygen redox in layered Na_2-XMn₃O₇, a positive electrode material with ordered Mn vacancies. We prove that coulombic interactions between oxidized oxideanions and the interlayer Na vacancies can disfavor rehybridization and stabilize hole

SUBMITTER: Abate II 

PROVIDER: S-EPMC10502899 | biostudies-literature | 2021

REPOSITORIES: biostudies-literature