Theory-driven design of cadmium mineralizing layered double hydroxides for environmental remediation.

ABSTRACT: The environmental concern posed by toxic heavy metal pollution in soil and water has grown. Ca-based layered double hydroxides (LDHs) have shown exceptional efficacy in eliminating heavy metal cations through the formation of super-stable mineralization structures (SSMS). Nevertheless, it is still unclear how the intricate coordination environment of Ca²⁺ in Ca-based LDH materials affects the mineralization performance, which hinders the development and application of Ca-based LDH materials as efficient mineralizers. Herein, we discover that, in comparison to a standard LDH, the mineralization efficiency for Cd²⁺ ions may be significantly enhanced in the pentacoordinated structure of defect-containing Ca-5-LDH utilizing both density functional theory (DFT) and ab i

SUBMITTER: Li Z 

PROVIDER: S-EPMC11323326 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature