Ionization energy and appearance energy in organic chemistry

The Number of Transmission Channels Through a Single-Molecule Junction

“…The hybridization energy is thus determined by the tunneling-width matrix evaluated at the Pt Fermi level, Γ(ε F )≡Γ. Using φ Pt(111) =5.93eV [24] and the chemical potential of benzene µ 0 =(IE + EA)/2=-4.06eV [25,26]…”

“…The hybridization energy is thus determined by the tunneling-width matrix evaluated at the Pt Fermi level, Γ(ε F ) ≡ Γ. Using ϕ Pt(111) = 5.93 eV and the chemical potential of benzene μ 0 = (IE + EA)/2 = −4.06 eV , (which is unaffected by screening), we find Tr{Γ} ≤ 21.6 eV to fit the hybridization energy for benzene adsorbed on Pt.…”

Coherent destruction of Coulomb blockade peaks in molecular junctions

“…Relative to the center of the HOMO-LUMO gap µ Cu(110)µ 0 =-0.425eV, where we have used the work function of the Cu(110) surface 34 φ Cu(110) =4.48eV and µ 0 =(ε IE + ε EA )/2=-4.055eV. 35,36 In the flat junction, the benzene molecule was placed 2.7 Å above the copper plane with the STM tip 5 Å above an orbital a. The tunneling-width matrices for the copper plane and STM tip were set to Γ II nm =1.3eV and Γ I nm =δ na δ ma 0.1eV, respectively.…”