Abstract
Surface-enhanced Raman scattering (SERS) and absorption spectra of the pyridine molecule adsorbed on AumAgn (m + n = 6) bimetallic clusters are theoretically investigated by time-dependent density functional theory. The contributions of static chemical enhancement to the ground-state system are analyzed, and the static Raman intensity of Py–AumAgn complexes are enhanced by an order of 10. A method of visualization on charge transfer is used to distinguish the contributions of charge-transfer enhancement and electromagnetic enhancement. The intensity of surface-enhanced resonance Raman scattering (SERRS) spectroscopy of Py–AumAgn is strongly enhanced by an order of 103–105, compared to the static Raman intensity of pyridine. The influence of the static external electric field on SERS is investigated by calculating the optical properties of the Py–Au3Ag3 complex. The intensity of SERRS spectra and normal Raman spectra can be significantly enhanced by the positive electric fields, and the intensities of specific Raman vibrational modes could be selectively enhanced or weakened by tuning the direction and strength of the static electric field applied on Py–Au3Ag3.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
