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Selective Chemical Raman Enhancement for Organic Adsorbates at Metal Surfaces

Zayak, Alexey T. and Hu, Ying and Choo, Hyuck and Cabrini, Stefano and Schuck, P. James and Neaton, Jeffrey B. (2010) Selective Chemical Raman Enhancement for Organic Adsorbates at Metal Surfaces. Bulletin of the American Physical Society, 55 (2). ISSN 0003-0503 .

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It has long been observed that in surface enhanced Raman spectroscopy (SERS) relative mode intensities differ from gas- and solution-phase data, which obscures understanding of SERS in general. Using first-principles methods, we examine how chemisorption affects Raman scattering of molecules on metal surfaces relative to gas-phase, and provide a quantitative description of this effect. Calculated Raman spectra for benzene thiol bound at different sites on Au(111) show that chemical enhancement arises from the mode dependent electron-phonon coupling of the metal-molecule interface. Site-dependent enhancements are explained correlated to interfacial electronic structure. Comparison to experiments suggests affinity of benzene thiol for bridge sites on Au(111) surfaces.

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Choo, Hyuck0000-0002-8903-7939
Additional Information:© 2010 APS. Abstract ID: BAPS.2010.MAR.Y25.8. We acknowledge support from DARPA and DOE. Computational resources provided by NERSC. Date submitted: 01 Dec 2009.
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Defense Advanced Research Projects Agency (DARPA)UNSPECIFIED
Department of Energy (DOE)UNSPECIFIED
Record Number:CaltechAUTHORS:20150908-163912848
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60107
Deposited By: Kristin Buxton
Deposited On:09 Sep 2015 15:31
Last Modified:08 May 2017 23:10

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