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Journal of Chemical Physics / Volume 130 / Issue 23 / ARTICLES / Surfaces, Interfaces, and Materials

J. Chem. Phys. 130, 234705 (2009); http://dx.doi.org/10.1063/1.3153917 (7 pages)

Surface enhanced Raman scattering of pyridine adsorbed on Au@Pd core/shell nanoparticles

Zhilin Yang1,2, Yan Li2, Zhipeng Li1, Deyin Wu3, Junyong Kang2,4, Hongxing Xu1,5, and Mengtao Sun1

1Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, P.O. Box 603-146, Beijing 100190, People’s Republic of China
2Department of Physics, Xiamen University, Xiamen 361005, People’s Republic of China
3State Key Laboratory of Physical Chemistry of Solid Surfaces and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, People’s Republic of China
4Fujian Key Laboratory of Semiconductors and Applications, Xiamen University, Xiamen 361005, People’s Republic of China
5Division of Solid State Physics, Lund University, Lund 22100, Sweden

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(Received 18 March 2009; accepted 21 May 2009; published online 18 June 2009)

Surface enhanced Raman scattering (SERS) of pyridine adsorbed on Au@Pd core/shell nanoparticles has been investigated theoretically with quantum chemical method, generalized Mie theory and three-dimensional finite-difference time domain (3D-FDTD) method. We first studied the influence of the coated Pd on the electronic structure of Au nanoparticle, and compared the electronic structure of Au20 cluster with that of Au10Pd10 (core/shell) cluster. Second, we studied SERS spectroscopy of pyridine on Au@Pd core/shell nanoparticles, which revealed the rate of static chemical enhancement and electromagnetic enhancement in the experimental reports. Third, the influence of the Pd shell thickness to the optical absorption of Au@Pd core/shell nanoparticles was investigated with generalized Mie theory. Fourth, we studied the influence of the shell thickness to the local electric field enhancement with 3D-FDTD method. The theoretical results reveal that the static chemical enhancement and electromagnetic enhancement are in the order of 10 and 103, respectively. These theoretical studies promote the deeper understanding of the electronic structure and optical absorption properties of Au@Pd, and the mechanisms for SERS of molecule adsorbed on Au@Pd.

© 2009 American Institute of Physics

Article Outline

  1. INTRODUCTION
  2. METHODS
  3. RESULTS AND DISCUSSION
  4. CONCLUSION

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KEYWORDS and PACS

Keywords

adsorption, electromagnetic wave scattering, electronic structure, finite difference time-domain analysis, gold, nanoparticles, organic compounds, palladium, surface enhanced Raman scattering

PACS

ARTICLE DATA

Digital Object Identifier
http://dx.doi.org/10.1063/1.3153917

PUBLICATION DATA

ISSN

0021-9606 (print)  
1089-7690 (online)

Publisher

$abstract.society.value is a Member of CrossRef American Institute of Physics

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