Journal
CHEMPHYSCHEM
Volume 13, Issue 17, Pages 3932-3936Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cphc.201200586
Keywords
density functional theory; nanoparticles; Raman spectroscopy; semiconductors; surface science
Funding
- National Basic Research Program of China [2010CB934700]
- National Natural Science Foundation of China [51002007, 20973019]
- Innovation Foundation of BUAA [YWF-12-RBYJ-029]
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Highly reproducible surface-enhanced Raman scattering (SERS) spectra are obtained on the surface of SnO2 octahedral nanoparticles. The spot-to-spot SERS signals show a relative standard deviation (RSD) consistently below 20?% in the intensity of the main Raman peaks of 4-mercaptobenzoic acid (4-MBA) and 4-nitrobenzenethiol (4-NBT), indicating good spatial uniformity and reproducibility. The SERS signals are believed to mainly originate from a charge-transfer (CT) mechanism. Time-dependent density functional theory (TD-DFT) is used to simulate the SERS spectrum and interpret the chemical enhancement mechanism in the experiment. The research extends the application of SERS and also establishes a new uniform SERS substrate.
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