ReviewRoyal Society open science2025
A review for DFT in chemical mechanism of SERS studies.
Review in Royal Society open science, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
4 citing papers in PubMed.
- Label-Free Single Protein Dynamics Revealed by Metasurface-Enhanced Raman Spectroscopy.ACS nano · 2026Article
- Plasmonic and surface-enhanced Raman nanobiosensors for quantitative molecular detection.Discover nano · 2026Review
- Next-Generation SERS Probes: Engineering Hotspots, Intelligent Molecular Targeting, and AI-Driven Spectral Analysis for Emerging Applications.Nanomaterials (Basel, Switzerland) · 2026Review
- Surface-enhanced Raman spectroscopy as a tool for food and environmental monitoring of pesticides: recent trends and perspectives.Nanoscale advances · 2025Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This review presents the state of the art in using density functional theory (DFT) to investigate the mechanism of chemical enhancement in surface enhanced Raman scattering (SERS). Computational DFT models have been shown to align well with experimental data and to be useful in their interpretation. In this context, the combined use of theoretical data and experimental SERS results can help explore the mechanisms contributing to chemical amplification. This review examines the application of DFT to estimate chemical enhancement of SERS under the following conditions: the presence of silver ions on the surface, the size and stability of metal clusters, the energy characteristics of the investigated molecule in the system from the cluster size in molecule-nanoparticle models, changes in the spatial orientation of the molecule on the nanoparticle surface depending on the concentration of molecules. Additionally, the review analyses the influence of the metal cluster shape and size in DFT calculations in simplified cluster systems. This information will be useful for researchers working with experimental SERS aspects.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.