The finite-difference time-domain (FDTD) guided preparation of Ag nanostructures on Ti substrate for sensitive SERS detection of small molecules.

Surface-enhanced Raman Scattering (SERS) has become a powerful analytical technique for highly sensitive detection of target molecules. Its performance, however, is heavily dependent on the substrates. Relatively low sensitivity for small molecules and poor reproducibility in quantitative analysis are often encountered in most of nanoparticle modified SERS substrate. The present work starts by theoretical investigation of the electromagnetic field enhancement by nanomaterials of coinage metals with different sizes. The finite-difference time-domain (FDTD) simulation results revealed that the Ag NPs with the size around 100 nm exhibit the strongest SERS effect and the 'Ag-Ag' gaps have shown higher electromagnetic field enhancement than that of the 'Ag-Ti' gap. Subsequently, a multilayered Ag nanoparticles SERS substrate (or other coinage metals) was prepared by a two-step electroless deposition of Ag on Ti substrate. This was achieved by in situ reduction of Ag precursor to subsequently form a Ag nanoflake (Ag NF) layer and a Ag nanoparticle (Ag NPs) layer on the Ti base (Ti/AgNFs/AgNPs). The as-prepared SERS substrate showed a substantially enhanced SERS effect for small molecule detection and detection limit as low as 1.0 × 10 M for picric acid (PA), 1.0 × 10 M for p-nitrotoluene (PNT) and 1.0 × 10 M for uric acid (UA) were obtained respectively. The facile method developed in this work should be widely applicable for in-situ preparation of other SERs substrates.