Fig. 3: The inter-molecular radical transfer reaction.
From: Universal inter-molecular radical transfer reactions on metal surfaces
a DFT-calculated reaction pathway of the bi-component system (bromobenzene and phenylacetylene) on Ag(111). b The corresponding energy profile. The energy profile is aligned with the chemical potential of adsorbed halogen atom on Ag(111), in which the chemical potential of halogen atom \({\mu }_{{{{{{\rm{halogen}}}}}}}\) is calculated as \({\mu }_{{{{{{\rm{halogen}}}}}}}={E}_{{{{{{\rm{halogen}}}}}}+{{{{{\rm{Ag}}}}}}\left(111\right)}-{E}_{{{{{{\rm{Ag}}}}}}\left(111\right)}\). Ag, C, H, and Br atoms are represented by silver, gray, white, and brown circles, respectively. The H dissociated from the phenylacetylene is highlighted by red. c Schematic illustration of the three steps of the inter-molecular radical transfer reaction. d TPD spectra of hydrogen gas (H2, m/z = 2) collected on a bare Ag(111) (gray), Ext-TEB/Ag(111) (blue), and (Ext-TEB + DBTP)/Ag(111) (black) samples with a heating rate of 1 K s−1. Source data are provided as a Source Data file.
