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Spatial resolution of tip-enhanced Raman spectroscopy : DFT assessment of the chemical effect

Title data

Latorre, Federico ; Kupfer, Stephan ; Bocklitz, Thomas ; Kinzel, Daniel ; Trautmann, Steffen ; Gräfe, Stefanie ; Deckert, Volker:
Spatial resolution of tip-enhanced Raman spectroscopy : DFT assessment of the chemical effect.
In: Nanoscale. Vol. 8 (2016) Issue 19 . - pp. 10229-10239.
ISSN 2040-3372
DOI: https://doi.org/10.1039/C6NR00093B

Abstract in another language

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.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Computer Science > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie - Univ.-Prof. Dr. Thomas Wilhelm Bocklitz
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 16 May 2023 11:44
Last Modified: 16 May 2023 11:44
URI: https://eref.uni-bayreuth.de/id/eprint/76337