Fig. 7: CO2 reduction on metal-supported MgO. | npj Computational Materials

Fig. 7: CO2 reduction on metal-supported MgO.

From: Low-dimensional non-metal catalysts: principles for regulating p-orbital-dominated reactivity

Fig. 7: CO2 reduction on metal-supported MgO.

a Top- and side-view structures of 1L and 2L MgO on the (111) and (100) surfaces of Ag and Au substrates, respectively. b Limiting potentials (UL) of CO2 reduction to produce CO and HCOOH for various metal-supported MgO overlayers. c DOS of a free CO2 molecule, a bent CO2 molecule, and MgO/metal heterostructure, respectively. d, e Charge transfer per Mg atom from MgO sheet to the substrate (CT/NMg) and p-band center (εp) vs. CO2 adsorption energy (ΔECO2) (images are adapted from ref. 209, Copyright© The Royal Society of Chemistry 2020).

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