NDLI: A density functional theoretical study of binding interaction and Raman spectra of benzene adsorbed on platinum electrodes

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A density functional theoretical study of binding interaction and Raman spectra of benzene adsorbed on platinum electrodes

Content Provider	Semantic Scholar
Author	Liu, Guang Tian, Z. Q.
Copyright Year	2004
Abstract	Surface-enhanced Raman spectroscopy (SERS) has been a powerful tool to characterize the chemisorption and chemical reaction of adsorbates on metal and electrode surfaces. There are two kinds of enhancement mechanisms that have been discussed widely [1-3]. One is electromagnetic enhancement, which originates from the surface local optical electric field effect, especially when the frequencies of incident or scattered radiations approach or locate at the region of surface plasmon resonance frequency on the rough metal surfaces. The other one is chemical enhancement, which is shown by many studies to arise from the chemical adsorption or the photo-induced chargetransfer between metal and adsorbates and will directly increase the Raman scattering cross section. On the basis of surface selection rules, the surface Raman experiment can provide the information related to the chemisorbed orientation of the molecule on metal surfaces, the flat or upright configuration. Benzene, a model molecule, has been extensively studied by numerous experiments and theoretical methods [4]. A flat configuration is commonly preferred on various metal surfaces. This is seemly proved by the theoretical results that the flat configuration has the largest adsorption energy for benzene adsorbed on Pt(111) [5,6]. Recently, our Raman experimental study showed that adsorbed benzene molecules on rough platinum electrodes probably have some upright configurations through one or two Pt-C σ-bonds binding to the platinum electrode surface. It is necessary to analyze theoretically the binding interaction and spectral properties of benzene adsorbed on the platinum surfaces.
Starting Page	374
Ending Page	375
Page Count	2
File Format	PDF HTM / HTML
DOI	10.1071/sa0402171
Volume Number	2
Alternate Webpage(s)	http://www.publish.csiro.au/SA/pdf/SA0402171
Alternate Webpage(s)	https://doi.org/10.1071/sa0402171
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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