title: Molecular polarization bridging physical and chemical enhancements in surface enhanced Raman scattering.
abstract: We present a practical method which demonstrates how the physical and chemical enhancements in SERS for a molecule adsorbed on metal junctions are conceptually coupled through the polarization of the molecule and its surroundings. Calculations with the state-of-the-art density functional reveal that the coupling factor considered in the present work can be as large as 10(6), such that it is indeed important for certain vibrational modes.
authors.affiliation: State Key Lab of Phys Chem of Solid Surface and College of Chem and Chem Eng, Xiamen Univ, Xiamen, 361005, PR China.
authors.forename: Sai
authors.initials: S
authors.lastname: Duan
authors.forename: Xin
authors.initials: X
authors.lastname: Xu
authors.forename: Yi
authors.initials: Y
authors.lastname: Luo
authors.forename: Zhong-Qun
authors.initials: ZQ
authors.lastname: Tian
mesh_terms: D000327:Adsorption; D001554:Benzene / Q000737:chemistry; D003300:Copper / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D008956:Models, Chemical; D011725:Pyridines / Q000737:chemistry; D012834:Silver / Q000737:chemistry*; D013059:Spectrum Analysis, Raman / Q000379:methods*
chemical_list: D011725:Pyridines; D012834:Silver; D006046:Gold; D003300:Copper; D001554:Benzene; C023666:pyridine