Ab initio molecular dynamics determination of competitive O-2 vs. N-2 adsorption at open metal sites of M-2(dobdc)

作者：Parkes Marie V; Greathouse Jeffery A; Hart David B; Sava Gallis Dorina F; Nenoff Tina M

来源：Physical Chemistry Chemical Physics, 2016, 18(16): 11528-11538.

DOI：10.1039/c6cp00768f

AIMD simulations were used to examine competitive gas adsorption of O2 and N2 in the M2(dobdc) MOF series.

• 出版日期2016-4-28