title: Experimental and DFT theoretical studies of surface enhanced Raman scattering effect on the silver nano arrays modified electrode.
abstract: 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.
authors.affiliation: Beijing Key Lab of Nano Photonics and Nano Structure, Capital Normal University, Beijing 100048, China. lszhang@mail.cnu.edu.cn
authors.forename: Lisheng
authors.initials: L
authors.lastname: Zhang
authors.forename: Yan
authors.initials: Y
authors.lastname: Fang
authors.forename: Peijie
authors.initials: P
authors.lastname: Wang
mesh_terms: D000537:Aluminum Oxide / Q000737:chemistry; D004566:Electrodes; D008958:Models, Molecular; D049329:Nanostructures / Q000737:chemistry*; D009579:Nitrobenzoates / Q000737:chemistry*; D011789:Quantum Theory; D012834:Silver / Q000737:chemistry*; D013059:Spectrum Analysis, Raman / Q000379:methods*
chemical_list: D009579:Nitrobenzoates; D012834:Silver; C008629:4-nitrobenzoic acid; D000537:Aluminum Oxide