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Enhanced water stability of MOFs via multiple hydrogen bonds and their application in water harvesting.

Yi-Chao WangMo-Han ChenZi-Wen FanYue WangCai-Xiang HuangHui-Fang WangJian-Ping LangZheng Niu
Published in: Chemical communications (Cambridge, England) (2024)
A mechanism based on multiple hydrogen bonds was proposed to describe the great water stability of some hydrated Cu paddle-wheel-based MOFs, which was demonstrated through density functional theory (DFT) calculations and single-crystal X-ray diffraction (SCXRD) of water-loaded MOFs. This mechanism endowed Cu-TDPAT with exceptional water stability and outstanding atmospheric water harvesting capability.
Keyphrases
  • density functional theory
  • metal organic framework
  • high resolution
  • magnetic resonance
  • molecular dynamics simulations
  • aqueous solution
  • contrast enhanced