A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

A DFT Approach to the Surface-Enhanced Raman Scattering of 4-Cyanopyridine Adsorbed on Silver Nanoparticles

A Surface-Enhanced Raman Scattering (SERS) spectrum of 4-cyanopyridine (4CNPy) was recorded on silver plasmonic nanoparticles and analyzed by using Density Functional Theory (DFT) calculations. Two simple molecular models of the metal−4CNPy surface complex with a single silver cation or wi...

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Bibliographic Details
Main Authors: Isabel López-Tocón, Samuel Valdivia, Juan Soto, Juan Carlos Otero, Francesco Muniz-Miranda, Maria Cristina Menziani, Maurizio Muniz-Miranda
Format: Article
Language:English
Published: MDPI AG 2019-08-01
Series:Nanomaterials
Subjects:
SERS
silver sol
metal nanoparticles
DFT calculations
4-cyanopyridine
Online Access:https://www.mdpi.com/2079-4991/9/9/1211

Internet

https://www.mdpi.com/2079-4991/9/9/1211

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