Interlayer Design of Pillared Graphite by Na-Halide Cluster Intercalation for Anode Materials of Sodium-Ion Batteries.

ABSTRACT: Graphite is currently utilized as anode materials for Li-ion batteries, but it is well-known that graphite does not show good electrochemical performances as the anode material for sodium-ion batteries (SIBs). It was also reported that the low electrochemical performances of graphite originated from the larger ionic radius of the sodium ion due to the required higher strain energy for sodium-ion intercalation into graphite leading to an unstable sodium-ion intercalated graphite intercalation compound (GIC). In this work, using first-principles calculations, we introduce pillaring effects of Na _n X (n = 3 and 4; X = F, Cl, or Br) halide clusters in GICs, which become electrochemically active for Na redox reactions. Specifically, to enable sodium-ion intercalation in

SUBMITTER: Hwang T 

PROVIDER: S-EPMC8047692 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature