Direct Visualization of the Chemical Mechanism in SERRS of 4-Aminothiophenol/Metal Complexes and Metal/4-Aminothiophenol/Metal Junctions
We theoretically investigate the mechanism of chemical enhancement of surface-enhanced resonance Roman scattering (SERRS) of para-aminothiophenol (PATP)/metal complexes and metal/PATP/metal junctions. The method of charge difference density is used to visualize intracluster excitation and charge transfer (CT) between PATP and metal during the process of resonant electronic transitions. It is found