Fig. 1: Electronic structure analysis. | Nature Communications

Fig. 1: Electronic structure analysis.

From: Electronic metal-support interaction modulates Cu electronic structures for CO2 electroreduction to desired products

Fig. 1

a The Cu 3 d diagrams of Al2O3-CuSAC, CeO2-CuSAC, and TiO2-CuSAC, respectively. b The binding modes of CO and H2O interacting with Cu site. c The Cu 3 d PDOS of Al2O3-CuSAC with adsorbed CO and H2O, as well as PDOS of CO and H2O orbitals after adsorbed (The inset is an enlarged view of the dashed line in c). The COHP curves of Cu−C bonds and Cu-O bonds in d Al2O3-CuSAC and e TiO2-CuSAC. f Free energy diagram for the dissociation of *H2O. g The ELF of Al2O3-CuSAC, CeO2-CuSAC, and TiO2-CuSAC. h Schematic diagram of CO adjacent-adsorption on Al2O3-CuSAC surface. i The CO adsorption energy of Al2O3-CuSAC, CeO2-CuSAC, and TiO2-CuSAC. Relevant source data are provided as a Source Data file.

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