Silver oxide model surface improves computational simulation of surface-enhanced Raman spectroscopy on silver nanoparticles

Surface-enhanced Raman spectroscopy (SERS) coupled with density functional theory (DFT) computations can characterise the adsorption orientation of a molecule on a nanoparticle surface. When using DFT to simulate SERS on a silver surface, one typically employs an atom (Ag), ion (Ag + ), or cluster (...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-07, Vol.23 (29), p.1548-15484
Hauptverfasser:	Harroun, Scott G, Zhang, Yaoting, Chen, Tzu-Heng, Chang, Huan-Tsung, Vallée-Bélisle, Alexis
Format:	Artikel
Sprache:	eng
Schlagworte:	Density functional theory Nanoparticles Raman spectroscopy Silver Silver oxides Simulation Spectrum analysis
Online-Zugang:	Volltext
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