Fritzsche, Siegfried; Chokbunpiam, Tatiya; Caro, Jürgen; Hannongbua, Supot; Janke, Wolfhard; Remsungnen, Tawun
(Washington, DC : ACS Publications, 2020)
A high selectivity of NOx over N2 (simulating air) is found in silico when studying the adsorption of the ternary mixture N2O4/NO2/N2 on the metal-organic framework MIL-127(Fe) by molecular simulations under consideration ...