Ionic and Electronic Conduction in TiNb₂O₇.

ABSTRACT: TiNb₂O₇ is a Wadsley-Roth phase with a crystallographic shear structure and is a promising candidate for high-rate lithium ion energy storage. The fundamental aspects of the lithium insertion mechanism and conduction in TiNb₂O₇, however, are not well-characterized. Herein, experimental and computational insights are combined to understand the inherent properties of bulk TiNb₂O₇. The results show an increase in electronic conductivity of seven orders of magnitude upon lithiation and indicate that electrons exhibit both localized and delocalized character, with a maximum Curie constant and Li NMR paramagnetic shift near a composition of Li_0.60TiNb₂O₇. Square-planar or distorted-five-coordinate

SUBMITTER: Griffith KJ 

PROVIDER: S-EPMC7007237 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature