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Hydrogen-bonded Complex-based Frameworks for Stable Lithium Storage.

Jialong JiangHongwen LiuZhonghang ChenRunhao ZhangJiachen GuoXiufang XuPeng ChengPeng Cheng
Published in: Chemistry, an Asian journal (2023)
Metal-complex-based materials for lithium storage have attracted great interest due to their highly designable structures with multiple active sites and well-defined lithium transport pathways. Their cycling and rate performances, however, are still constrained by structural stability and electrical conductivity. Herein, we present two hydrogen-bonded complex-based frameworks with excellent lithium storage capability. Multiple hydrogen bonds among the mononuclear molecules result in three-dimensional frameworks that are stable in electrolyte. The origin of the remarkable lithium storage performance of this family was revealed through kinetic analysis and DFT calculations.
Keyphrases
  • solid state
  • density functional theory
  • molecular dynamics simulations
  • high resolution
  • ionic liquid
  • molecular dynamics
  • mass spectrometry
  • peripheral blood
  • molecular docking