Fig. 4: Role of the surface oxygen vacancy on MoOx surface in catalyzing the CO2 hydrogenation to CO. | Nature Communications

Fig. 4: Role of the surface oxygen vacancy on MoOx surface in catalyzing the CO2 hydrogenation to CO.

From: Direct cleavage of C=O double bond in CO2 by the subnano MoOx surface on Mo2N

Fig. 4

a The adsorption energy of CO2 on MoO3/Mo2N and MoOx/Mo2N with various vacancy densities. b The CO2 conversion of MoOx/Mo2N at 400 °C after different H2-pretreated temperatures. c Energy diagram for CO2 hydrogenation and corresponding configurations of optimized intermediates and transition states.

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