ArticleACS physical chemistry Au2024
Atomistic Multiscale Modeling of Colloidal Plasmonic Nanoparticles.
Article in ACS physical chemistry Au, 2024. 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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Who cites it
4 citing papers in PubMed.
- Strong light-matter interactions in hybrid polaritonic systems.Chemical communications (Cambridge, England) · 2026Review
- Atomistic QM/Classical Modeling of Surface-Enhanced Infrared Absorption.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- On the Energy Contributions Driving Pyridine Adsorption on Silver and Gold Nanoparticles.Nanomaterials (Basel, Switzerland) · 2025Article
- Plasmonic chemosensing of W(vi), Pd(ii), Cr(iii), and Cs(i) in deep eutectic solvent using silver nanoparticles: green solvent toward optical point-of-use quality testing.RSC advances · 2025Article
Corrections and comments
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Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A novel fully atomistic multiscale classical approach to model the optical response of solvated real-size plasmonic nanoparticles (NPs) is presented. The model is based on the coupling of the Frequency Dependent Fluctuating Charges and Fluctuating Dipoles (ωFQFμ), specifically designed to describe plasmonic substrates, and the polarizable Fluctuating Charges (FQ) classical force field to model the solvating environment. The resulting ωFQFμ/FQ approach accounts for the interactions between the radiation and the NP, as well as with the surrounding solvent molecules, by incorporating mutual interactions between the plasmonic substrate and solvent. ωFQFμ/FQ is validated against reference TD-DFTB/FQ calculations, demonstrating remarkable accuracy, particularly in reproducing plasmon resonance frequency shifts for structures below the quantum-size limit. The flexibility and reliability of the approach are also demonstrated by simulating the optical response of homogeneous and bimetallic NPs dissolved in pure solvents and solvent mixtures.
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Registered trials
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