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. 2021 Apr 9;26(8):2175. doi: 10.3390/molecules26082175

Figure 5.

Figure 5

(a) Reaction barrier energies of C-C coupling step at the low and high CO concentrations; the corresponding configurations of initial state, transition state and final state on the CO coverage of (b) 2/9 ML and (c) 3/9 ML. Light red, copper; grey, carbon; red, oxygen; TS, transition state; * represents adsorbates).