Ionic and Electronic Conduction in TiNb2O7

• Published in: Journal of the American Chemical Society Vol. 141; no. 42; pp. 16706 - 16725
• Main Authors: Griffith, Kent J, Seymour, Ieuan D, Hope, Michael A, Butala, Megan M, Lamontagne, Leo K, Preefer, Molleigh B, Koçer, Can P, Henkelman, Graeme, Morris, Andrew J, Cliffe, Matthew J, Dutton, Siân E, Grey, Clare P
• Format: Journal Article
• Language: English
• Published: American Chemical Society 23.10.2019

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 computati...