title: Cations-modified cluster model for density-functional theory simulation of potential dependent Raman scattering from surface complex/electrode systems.
abstract: Aiming to solve the problem of simulation of the potential dependent surface Raman spectra of anion containing surface complexes on electrodes, we developed a new simulation model by adding different cations (Li(+), Na(+), K(+), Rb(+) or Cs(+)) attached to the bottom layer of a large metallic cluster while the surface complex sits on the top layer.
authors.affiliation: State Key Laboratory of Physical Chemistry of Solid Surfaces, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, China.
authors.forename: Song-Yuan
authors.initials: SY
authors.lastname: Ding
authors.forename: Bi-Ju
authors.initials: BJ
authors.lastname: Liu
authors.forename: Qing-Ning
authors.initials: QN
authors.lastname: Jiang
authors.forename: De-Yin
authors.initials: DY
authors.lastname: Wu
authors.forename: Bin
authors.initials: B
authors.lastname: Ren
authors.forename: Xin
authors.initials: X
authors.lastname: Xu
authors.forename: Zhong-Qun
authors.initials: ZQ
authors.lastname: Tian