Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces
The electronic structure of benzene on graphite (0001) is computed using the GW approximation for the electron self-energy. The benzene quasiparticle energy gap is predicted to be 7.2 eV on graphite, substantially reduced from its calculated gas-phase value of 10.5 eV. This decrease is caused by a change in electronic …