Impact of Structural Deformations on the Performance of Li-Ion Insertion Hosts

Abstract

Over the course of more than three decades, Li-ion batteries have come to revolutionize the way we store and transport energy. These incredibly compact electrochemical devices rely fundamentally on the ability to reversibly insert lithium ions into densely packed arrangements of atoms. Of the tens of thousands of materials reported in the structural databases, only a very small number have been shown to be capable of accommodating the kind of fast ionic diffusion necessary to operate in practical devices. In honor of John B. Goodenough's 100th birthday, this perspective will overview the current understanding of the kinds of structural features that help and/or hurt fast lithium ion transport through insertion hosts, with a particular focus on the role that the rotation of rigid subunits plays in the movement of lithium through the solid state.

Impact of gadolinium doping into the frustrated antiferromagnetic lithium manganese oxide spinel

“… 5 , 6 , 7 Commonly, LMO exhibits cubic spinel structure (ordered spinel) and belongs to the Fd3m space group in which Li, O, and Mn ion occupy the 8a tetrahedral (Td) sites, 32e − position, and 16d octahedral (Oh) sites, respectively. 8 , 9 , 10 When this material is used as anode material in Li-ion batteries, severe capacity fading occurs due to the instability of Mn 3+ , leading to dissolution in the electrolyte. Generally, Mn 3+ and Mn 4+ are distributed in 1:1 ratio; wherein more Mn 3+ undergoes a strong Jahn-Teller (JT) distortion due to a single electron in Eg orbital.…”