Work

Selective Chemical Raman Enhancement for Organic Adsorbates at Metal Surfaces

Year: 2010

Type: article

Abstract: 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.

Source: CaltechAUTHORS (California Institute of Technology)

Authors: A. T. Zayak, Ying Hu, Hyuck Choo, Stefano Cabrini, P. James Schuck, Jeffrey B. Neaton

Language: English

Topic: Gold and Silver Nanoparticles Synthesis and Applications

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, National Energy Research Scientific Computing Center, Defense Advanced Research Projects Agency

OpenAlex ID: W1924310768

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