Fig. 3: Mechanism investigation of plasmonic electrocatalytic CO2RR based on three Au NPs.

a–c Faradaic efficiencies (FE) for CO production at different applied potentials on (a) Au NCs, (b) RDs, and (c) OCs at room temperature (solid), 30 °C (dense slash) and 40 °C (sparse slash). d–f Hot electron (solid) and hole (dashed) generation rate for each of the (d) Au NCs, (e) RDs, and (f) OCs at different electric field wavelengths. Ne/h(E,ω) indicates the number of hot carriers being generated with energy E upon the light with ω. The Fermi energy is set to zero. g–i Absolute electric field profile in (g) Au NCs, (h) RDs, and (i) OCs at the corresponding LSPR frequencies, in reference to the external applied electric field. All simulated nanoparticles have approximately 200,000 atoms. Source data are provided as a Source Data file.