Computational Screening of Layered Materials for Multivalent Ion Batteries.

ABSTRACT: Batteries based on multivalent ion (such as Al³⁺, Ca²⁺, and Mg²⁺) intercalation materials have attracted extensive research interest due to their impressive capacity improvement and cost reduction compared with Li-ion batteries. However, the materials for state-of-the-art multivalent ion batteries still suffer from drawbacks such as sluggish ion mobility, poor rate performance, and low cyclic stability, bringing challenges for the design and investigation of new materials. Layered cathode materials are widely applied in current commercial batteries due to their outstanding ionic conductivity and structural stability, which may also hold the key for the cathodes of multivalent batteries. Therefore, combining database screening and density functional theory c

SUBMITTER: Zhang Z 

PROVIDER: S-EPMC6648400 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature