Hydrophilic metal-organic framework NU-1500-Cr is a high performing water harvesting material, but the mechanism through which it adsorbs water remains unclear. Here, molecular dynamics simulations and infrared spectroscopy are used to follow the water adsorption process in NU-1500-Cr from the initial hydration stage to complete filling of the MOF pores.
- Ching-Hwa Ho
- Mason L. Valentine
- Francesco Paesani