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. 2024 Sep 3;11(40):2407473. doi: 10.1002/advs.202407473

Figure 7.

Figure 7

DFT calculation for the reaction of ethanol on Ni3N and VOx−Ni3N. a) The reaction coordinates (a) and the corresponding Gibbs free energies b) during the EOR process. The blue, cyan, red, grey, and white balls represent nickel, vanadium, oxygen, carbon, and hydrogen, respectively.