Experimental and DFT theoretical studies of surface enhanced Raman scattering effect on the silver nano arrays modified electrode.

Well-ordered silver nano arrays, prepared using anodic aluminum oxide (AAO) template by laser molecular beam epitaxy (L-MBE) method, were adhered to the work electrode using conductive adhesive to be a Surface-enhanced Raman scattering (SERS) substrate. Variable SERS signals of paranitrobenzoic acid (PNA) on the electrode modified with silver nano arrays were recorded with electric potential ranging from 0.1 to -0.5 V. The SERS spectra of PNA using DFT-B3PW91 with lanl2dz based on two models were calculated. It indicate that the adsorption orientation of probe molecules on the silver nano arrays with potential change of the electrode.