Sers chemical enhancement of 2,4,5-trichlorophenoxyacetic acid absorbed on Au20, ITS Au-Ag AND Au-Cu bimetallic clusters: A DFT study

The surface-enhanced Raman scattering (SERS) phenomenon of 2,4,5- trichlorophenoxyacetic acid (2,4,5-T) adsorbed on Au20 pyramidal cluster is studied by Density Functional Theory. All possible adsorption configurations between the adsorbate and the Au20 clusters are evaluated and the vibrational assignments of normal Raman and SERS spectra are analyzed.