Collinear Jahn-Teller Ordering Induces Monoclinic Distortion in "Defect-Free" LiNiO₂.

ABSTRACT: Lithium nickel oxide, LiNiO₂ (LNO), and its doped derivatives are promising battery cathode materials with high gravimetric capacity and operating voltages. They are also of interest to the field of quantum magnetism due to the presumed S = 1/2 triangular lattice and associated geometric frustration. However, the tendency for Li/Ni substitutional defects and off-stoichiometry makes fundamental studies challenging. In particular, there is still a discrepancy between the rhombohedral (R3̅m) bulk structure and the Jahn-Teller (JT) distortions of the NiO₆ octahedra inferred on the basis of local structural probes. Karger et al. (Chem. Mater. 2023, 35, 648-657) recently used Na/Li ion exchange to synthesize "defect-free" LNO

SUBMITTER: Phillips GS 

PROVIDER: S-EPMC12356588 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature