Highly Selective Separation of C₂H₂/CO₂ and C₂H₂/C₂H₄ in an N-Rich Cage-Based Microporous Metal-Organic Framework

Figure 4

Comparison of the optimal (a) C₂H₂, (b) C₂H₄, and (c) CO₂ adsorption sites observed by DFT calculations along the axis. Cd, C, N, and H in Cd-TZ are represented by dark blue, bright grey, lavender, and white, respectively. C in C₂H₂ and C₂H₄ is represented by bright yellow.

(a)

(b)

(c)