Resolving Molecular Structures with High-Resolution Tip-Enhanced Raman Scattering Images

Pengchong Liu, Xing Chen, Hepeng Ye, Lasse Jensen

Research output: Contribution to journalArticlepeer-review

36 Scopus citations


Vibrational modes of a single molecule can be visualized by tip-enhanced Raman spectroscopy with atomic resolution. However, the exact vibrations associated with these Raman scattering images are still in debate due to the lack of theoretical interpretation. In this work, we systematically study the Raman scattering images of a single Co(II)-tetraphenylporphyrin molecule. The stable structure whose Raman scattering images consistently match experimental results is discovered. Furthermore, we elucidate the effects of near-field localizations and field gradient on the resolution in Raman scattering images. The approach of locally integrated Raman polarizability density employed in this work provides an intuitive explanation of the origin of the experimental Raman scattering images.

Original languageEnglish (US)
Pages (from-to)9342-9351
Number of pages10
JournalACS nano
Issue number8
StatePublished - Aug 27 2019

All Science Journal Classification (ASJC) codes

  • General Materials Science
  • General Engineering
  • General Physics and Astronomy


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