Active Center Induced by Vibronic Interactions in V2O5/SiO2

摘要

The vibronic interactions in a photocatalyst, isolated vanadium oxide on silica, is investigated theoretically employing a vibronic model. The T_1 state gives rise to a Jahn-Teller distortion after the excitation. The HOMO is destabilized against the JT distortion, while the system is stabilized because of the JT effect.