Crystal structures of COF-105, COF-108, MOF-5, and MOF-177. Pink balls denote boron atoms, red balls for oxygen atoms, gray balls for carbon atoms, white balls for hydrogen atoms, yellow balls for silicon atoms, and blue balls for zinc atoms.
Simulated and experimental adsorption isotherms of H2 in MOF-5 and MOF-177 at 298 K. The experimental values were taken from Refs. 32 and 9.
Simulated adsorption isotherms of four gases: (a) H2, (b) CO, (c) NO, and (d) NO2, in the four nanoporous host materials (COF-105, COF-108, MOF-5, and MOF-177) at 298 K.
H2 uptakes as function of (a) pore volume, and (b) accessible surface area at 100 bars and 298 K.
Simulated isosteric heats of adsorption of (a) H2, (b) CO, (c) NO, and (d) NO2 in COF-105, COF-108, MOF-5, and MOF-177 frameworks at 298 K.
Mass density, pore size, surface area (SA), pore volume (VP), and free volume per unit cell for the crystalline COF-105, COF-108, MOF-5, and MOF-177.
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