Identification of dopant site and its effect on electrochemical activity in Mn-doped lithium titanate.

ABSTRACT: Doped metal oxide materials are commonly used for applications in energy storage and conversion, such as batteries and solid oxide fuel cells. The knowledge of the electronic properties of dopants and their local environment is essential for understanding the effects of doping on the electrochemical properties. Using a combination of X-ray absorption near-edge structure spectroscopy (XANES) experiment and theoretical modeling we demonstrate that in the dilute (1 at. %) Mn-doped lithium titanate (Li4/3Ti5/3O4, or LTO) the dopant Mn2+ ions reside on tetrahedral (8a) sites. First-principles Mn K-edge XANES calculations revealed the spectral signature of the tetrahedrally coordinated Mn as a sharp peak in the middle of the absorption edge rise, caused by the 1s → 4p transition, and it is impor

SUBMITTER: Singh H 

PROVIDER: S-EPMC6513013 | biostudies-literature | 2018

REPOSITORIES: biostudies-literature