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. 2020 Nov 12;11(23):10060–10066. doi: 10.1021/acs.jpclett.0c03020

Chart 1. Illustration of the cha Cage Showing the 6r and 8r, a Cu+ Cation in the 6r and the Compensating Proton (a); Static DFT Optimized Geometry of Cu+ and Cu2+ in the 6r of Cu-SSZ-13 (b) and Cu-SAPO-34 (c)a.

Chart 1

a Al, P, O, Si, Cu, and H atoms depicted in gray, yellow, red, orange, green, and white, respectively.