ArticleThe journal of physical chemistry letters2023
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images.
Article in The journal of physical chemistry letters, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- Article
- Point-Contact Tip-Enhanced Raman Spectroscopy: Picoscale Light-Matter Interactions within Plasmonic Cavities.Nano letters · 2025Review
- Atomistic polarization model for Raman scattering simulations of large metal tips with atomic-scale protrusions at the tip apex.Nanophotonics (Berlin, Germany) · 2023Article
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Authors and funding
5 authors.
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No grant is acknowledged in the PubMed record.
Abstract
Tip-enhanced Raman scattering (TERS) has emerged as a powerful tool to obtain subnanometer spatial resolution fingerprints of atomic motion. Theoretical calculations that can simulate the Raman scattering process and provide an unambiguous interpretation of TERS images often rely on crude approximations of the local electric field. In this work, we present a novel and first-principles-based method to compute TERS images by combining Time Dependent Density Functional Theory (TD-DFT) and Density Functional Perturbation Theory (DFPT) to calculate Raman cross sections with realistic local fields. We present TERS results on free-standing benzene and C
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