期刊
ACS NANO
卷 13, 期 8, 页码 9342-9351出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsnano.9b03980
关键词
tip-enhanced Raman spectroscopy; structural characterization; atomic resolution; near field; plasmonics; TDDFT
类别
资金
- National Science Foundation Center for Chemical Innovation [CHE-1414466]
- National Science Foundation [ACI-1548562]
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.
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