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

Figure 2

Structure diagrams of Zn, Ca, and Ga substitutions at Al, Si, Al′, and Si′. (a, c, e) Zn/Ca/Ga substitutions at Al site; (b, d, f) Zn/Ca/Ga substitutions at Si site; (g, i, k) Zn/Ca/Ga substitutions at Al′ site; (h, j, l) Zn/Ca/Ga substitutions at Si′ site.

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