Ultralow diffusion barrier induced by intercalation in layered N-based cathode materials for sodium-ion batteries.

ABSTRACT: Sodium-ion batteries (SIBs) have attracted huge attention due to not only the similar electrochemical properties to Lithium-ion batteries (LIBs) but also the abundant natural reserves of sodium. However, the high diffusion barrier has hindered its application. In this work, we have theoretically studied the relationship between the strain and the diffusion barrier/path of sodium ions in layered CrN₂ by first-principles calculation. Our results show that the strain can not only effectively decrease the diffusion barrier but also change the sodium diffusion path, which can be realized by alkali metal intercalation. Moreover, the diffusion barrier is as low as 0.04 eV with the Cs atoms embedding in layered CrN₂ (Cs_1/16CrN₂), suggesting an excellent

SUBMITTER: Jiang Y 

PROVIDER: S-EPMC10009654 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature