Fig. 5: CO2 adsorption behavior and reaction pathways. | Nature Communications

Fig. 5: CO2 adsorption behavior and reaction pathways.

From: Defect-phase engineered NiTi-TiO2 enabling near-unity selective photocatalytic CO2-to-methanol conversion

Fig. 5: CO2 adsorption behavior and reaction pathways.

a Pulsed chemisorption of CO2 for NTL, D-NTL/TO-2 and TO catalysts. b Top and side view of adsorbed CO32− species on NTL, with a calculated adsorption energy of −2.72 eV. c DFT-calculated pathway for the conversion of CO32− species to *CO over NTL. d Gibbs free energy profiles for CO2 reduction to CO, HCOOH, HCHO, CH3OH and CH4 on D-NTL/TO. e Schematic illustration of the CO2 activation mechanism on NTL and D-NTL/TO. Source data for Fig. 5a, c, d are provided as a Source Data file.

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