Spatial resolution of tip-enhanced Raman spectroscopy – DFT assessment of the chemical effect. Issue 19 (28th April 2016)

• Record Type: Journal Article
• Authors: Latorre, Federico; Kupfer, Stephan; Bocklitz, Thomas; Kinzel, Daniel; Trautmann, Steffen; Gräfe, Stefanie; Deckert, Volker
• Is Part Of: Nanoscale. Volume 8:Issue 19(2016)
• Page Start: 10229
• Page End: 10239
• Publication Date: 2016-04-28
• Subjects: Nanoscience -- Periodicals; Nanotechnology -- Periodicals; 620.505
• DOI: 10.1039/c6nr00093b
• Languages: English
• ISSNs: 2040-3364

Abstract

Abstract : Potential sub-nm lateral resolution induced by chemical interaction in plasmon-enhanced spectroscopies, i.e. in the scope of tip-enhanced Raman spectroscopy, was evaluated by an entirely quantum chemical approach. Abstract : Experimental evidence of extremely high spatial resolution of tip-enhanced Raman scattering (TERS) has been recently demonstrated. Here, we present a full quantum chemical description (at the density functional level of theory) of the non-resonant chemical effects on the Raman spectrum of an adenine molecule mapped by a tip, modeled as a single silver atom or a small silver cluster. We show pronounced changes in the Raman pattern and its intensities depending on the conformation of the nanoparticle–substrate system, concluding that the spatial resolution of the chemical contribution of TERS can be in the sub-nm range.