Abstract
In this study, a detailed analysis on the surface-enhanced Raman scattering of 1,4-Benzenedithiol adsorbed on gold/graphene cluster is presented by density functional theory calculations. Results indicate that changing graphene type including perfect graphene, monovacancy graphene, B/N-doped grapheme, and graphene oxide enables modulation of interaction between molecule, gold, and graphene cluster. Calculated Raman spectra of surface complexes are discussed considering chemical enhancement for graphene-based surface-enhanced Raman scattering study, which shows dependence on graphene types, which is related to several influence factors from electronic structure to excitation properties.
| Original language | English |
|---|---|
| Pages (from-to) | 1510-1518 |
| Number of pages | 9 |
| Journal | Journal of Raman Spectroscopy |
| Volume | 50 |
| Issue number | 10 |
| DOIs | |
| State | Published - 1 Oct 2019 |
Keywords
- 1,4-Benzenedithiol
- DFT
- SERS
- gold
- graphene
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