Density Functional Theory Study on the Effect of Isomorphic Substitution of FAU Molecular Sieve on N₂ Adsorption Performance

Figure 1

(a) Structure of the FAU molecular sieves. (b) Structure of the β-cage. (c) Charge difference diagram of β-cage. The isosurface value is 0.002 e Bohr⁻³. The cyan part represents an increase in charge density, and the yellow part represents a decrease in charge density. Red, dark blue, and light blue represent the O, Al, and Si atoms.

(a)

(b)

(c)