MIL-100Cr with open Cr sites for a record N 2 O capture

Nitrous oxide (N2O) is considered as the third most important greenhouse gas after carbon dioxide and methane and needs to be removed from air. Herein, we reported the metal-organic framework MIL-100Cr with open Cr sites for record N2O capture capacities of 5.78 mmol g-1 at 298 K and 8.25 mmol g-1 at 273 K, respectively. DFT calculations showed that the static binding energy of N2O on the open-Cr site is notably higher than that of N2, 72.5 kJ mol-1vs. 51.6 kJ mol-1, which enforces MIL-100Cr to exhibit extremely high N2O/N2 ideal adsorbed solution theory (IAST) gas separation selectivity up to 1000.