期刊
CHEMPHYSCHEM
卷 13, 期 6, 页码 1449-1453出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201200058
关键词
carbon clusters; charge transfer; density functional calculations; Raman spectroscopy; surface-enhanced Raman scattering
资金
- National Synchrotron Radiation Laboratory of China [KY206014002]
- National Natural Science Foundation of China [21071137]
The SERS spectra of pyridineCn (n=16) complexes are investigated theoretically. The obtained enhancement factors of about 102103 in the pre-resonance Raman spectrum calculations are attributed to charge-transfer transitions from the carbon clusters to pyridine, where a good match of band structures between substrates and probe molecules is essential.
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