Enhanced Water Stability of MOFs via Multiple Hydrogen Bonds and the Application in Water Harvesting

Abstract

A mechanism based on multiple hydrogen bonds was proposed to illustrated 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.