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- W3170608506 abstract "<div>Surface enhanced Raman scattering (SERS) is presented via a case study of 2,2’-bipyridyl</div><div>(22BPY) molecules adsorbed on pure Au and Ag as well as on Au-Ag alloy nanodiscs. Experimental</div><div>SERS spectra from Au and Ag nanodics show similar peaks, but those from Au-Ag alloy</div><div>reveal new spectral features. The physical enhancement factors due to surface nano-texture were</div><div>considered by numerical simulations of light intensity distribution for the nano-textured Au, Ag,</div><div>and Au-Ag alloy surfaces, but found to cause only minor differences. For the chemical insights of</div><div>enhancement, the density functional theory (DFT) calculations were performed using Au20, Ag20,</div><div>and Au10Ag10 clusters of a pyramidal structure for SERS modeling. Binding of 22BPY to the clusters</div><div>was simulated by considering possible arrangements of vertex and planar physical as well as</div><div>chemical adsorption models. A qualitative match with experimental SERS results for the pure Au</div><div>and Ag was obtained. DFT models showing spectral shifts of 22BPY SERS on the alloy nanodiscs</div><div>are presented.</div>" @default.
- W3170608506 created "2021-06-22" @default.
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- W3170608506 date "2018-01-01" @default.
- W3170608506 modified "2023-09-23" @default.
- W3170608506 title "SERS Comparison from Au, Ag, and Au-Ag Alloys: Insights by the First Principles" @default.
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- W3170608506 doi "https://doi.org/10.26434/chemrxiv.6120962.v1" @default.
- W3170608506 hasPublicationYear "2018" @default.
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