High N2 uptake by MgFeOx-C nano-hybrid for under high temperature and ambient pressure

Abstract Discovery of new environmental materials with high N2 uptake under high temperature and ambient pressure could help to understand the physical and chemical behavior of N2. MgFeOx-C nanohydrid from spent MgFe-LDH in wastewater treatment can adsorb a total of 4.8 wt% N2 equivalent to 1 mmol/g capacity of N2 adsorption at 400 °C and ambient pressure for 3 h. The N2 stored in MgFeOx-C nanohydrid can be released when the temperature drops. Also it can be completely desorbed at room temperature. However, it is found the form of MgFe2 + 3O4 promotes N2 uptake via Mg and Fe sites anchored by carbon, which is further proved by Molecular dynamics simulations with high adsorption energy of Mg and Fe active sites. In addition, materials that adsorb N2 under high temperature and desorb at room temperature is related with the N-N alternative adsorption of Mg atom active site at high temperature.