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Unraveling the superior aqueous Na-ion storage in a multicyano-substituted phenazine-based electrode material.

Jing HeRenyuan WangLingyun LiLiping ZhaoMinjie ShiChao Yan
Published in: Chemical communications (Cambridge, England) (2022)
A novel cyano-substituted diquinoxalino-phenazine (CDPZ) organic compound was prepared and integrated with graphene to create a heterostructured electrode material for aqueous Na-ion batteries. With active cyano groups and imino moieties in the CDPZ molecule, the CDPZ@G electrode undergoes highly reversible redox reactions upon Na + uptake/removal, which is confirmed by electrochemical tests, in situ FTIR analysis and DFT calculations. As a result, the composite electrode achieves superior aqueous Na + storage with a large specific capacity of ∼265.1 mA h g -1 , superior to those of reported organic-based electrodes in alkali-ion aqueous electrolytes.
Keyphrases
  • ionic liquid
  • carbon nanotubes
  • solid state
  • ion batteries
  • molecular docking
  • room temperature
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • water soluble
  • molecularly imprinted