Coupling effect on charge‐transfer mechanism of surface‐enhanced resonance Raman scattering. (27th January 2017)

• Record Type: Journal Article
• Authors: Li, Quanjiang; Wang, Jingang; Ding, Qianqian; Chen, Maodu; Ma, Fengcai
• Is Part Of: Journal of Raman spectroscopy. Volume 48:Number 4(2017)
• Page Start: 560
• Page End: 569
• Publication Date: 2017-01-27
• Subjects: coupling effect -- charge transfer -- SERRS -- DFT -- Ac@Au7 cluster; Raman spectroscopy -- Periodicals; 535.846
• DOI: 10.1002/jrs.5077
• Languages: English
• ISSNs: 0377-0486

Abstract

Abstract : In this work, charge‐transfer mechanism of surface‐enhanced resonance Raman scattering (SERRS) spectroscopy of pyrazine absorbed on Ac@Au7 clusters is theoretically investigated, and the coupling effect between the nanoparticles is especially concerned. First, the contributions of coupling effect to surface‐enhanced Raman scattering (SERS) are compared between the ground‐state nanoparticles. Second, the visualization of charge transfer provides evidence for the coupling effect on the charge‐transfer enhancement mechanism of SERRS spectroscopy. The theoretical results show that the coupling effect on charge‐transfer mechanism of SERRS can significantly enhance the intensity of SERS spectra up to about 6 × 10 5 times. The different coupling ways not only result in different degree of charge transfer on electronic transitions, but also cause different intensity of charge‐transfer absorption peaks. Both of them strongly influence the enhancement of charge‐transfer mechanism of SERRS. This study promotes the understanding of charge‐transfer enhancement mechanism of SERRS for ultrasensitive Raman spectral analysis at nanoscale. Copyright © 2017 John Wiley & Sons, Ltd. Abstract : The chemical mechanism on SERRS of pyrazine adsorbed on Ac@Au7 has been studied by the TDDFT method. The coupling effect on charge‐transfer mechanism can significantly enhance the SERRS intensity of Ac@Au7 –pyrazine–Ac@Au7 (V) junction up to the order of 10 6 .