First-principles study of Na insertion at TiO₂ anatase surfaces: new hints for Na-ion battery design.

ABSTRACT: Na-ion batteries (NIBs) are attracting widespread interest as a potentially more convenient alternative to current state-of-the-art Li-ion batteries (LIBs), chiefly for large-scale energy storage from renewables. Developing novel active materials is essential for the deployment of NIBs, especially in terms of negative electrodes that can accommodate the larger sodium ions. We focus on TiO₂ anatase, which has been proposed as a promising anode material for the overall balance of performance, stability and cost. As the exposed crystal facets in different morphologies of nanostructured anatase can affect the electrochemical performances, here we report a theoretical investigation of Na⁺ adsorption and migration through (101), (100) and (001) surface terminations, thus ex

SUBMITTER: Massaro A 

PROVIDER: S-EPMC9417436 | biostudies-literature | 2020 Jul

REPOSITORIES: biostudies-literature