Speaker: Xiu-Feng Lang

Beijing Computational Science Research Center    

Abstract: Surface-enhanced Raman scattering (SERS) is currently the only method that can simultaneously detect a single molecule and provide its chemical fingerprint. It has been widely used in surface science, nano science, trace analysis, biological sensing, etc. Generally, electromagnetic mechanism and chemical mechanism produce the huge enhancement factor in SERS. However, nature of the chemical mechanism is still poorly understood today. We investigated the SERS of adenine and pyrazine adsorbed on Ag and AuPd nanoclusters by using density functional theory and deeply studied the factors that can modulate the chemical effects: cluster size, cluster composition, cluster coupling and molecular conformation. In addition, we used the SERS spectroscopy to in situ monitor the chemical reaction occurring on high-index-faceted tetrahexahedral gold nanocrystals and theoretically supported the experimental findings

Date&Time: January 25, 2013 (Friday), 14:30–15:30
Location: 606 Conference Room