Atomistic polarization model for Raman scattering simulations of large metal tips with atomic-scale protrusions at the tip apex.

ABSTRACT: Tip-enhanced Raman spectroscopy (TERS) has recently been developed to push the spatial resolution down to single-chemical-bond scale. The morphology of the scanning tip, especially the atomistic protrusion at the tip apex, plays an essential role in obtaining both high spatial resolution and large field enhancement at the Ångström level. Although it is very difficult to directly characterize the atomistic structures of the tip, the Raman scattering from the apex's own vibrations of the metal tip can provide valuable information about the stacking of atoms at the tip apex. However, conventional quantum chemistry packages can only simulate the Raman scattering of small metal clusters with few atoms due to huge computational cost, which is not enough since the shaft of the tip behind the apex

SUBMITTER: Cui J 

PROVIDER: S-EPMC11501578 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature