title: In situ identification of the adsorption of 4,4'-thiobisbenzenethiol on silver nanoparticles surface: a combined investigation of surface-enhanced Raman scattering and density functional theory study.
abstract: We investigated the configuration characteristic and adsorption behavior of 4,4'-thiobisbenzenethiol (TBBT) on the surface of silver nanoparticles (NPs). Under different conditions and preparation processes, several possible surface species were produced including single-end adsorption on a silicon wafer, double-end adsorption and bridge-like adsorption. Although consisting of the same molecule and nano material, different adsorption systems exhibited different spectral characteristics in the surface-enhanced Raman spectroscopy (SERS). A density functional theory (DFT) study further verified the corresponding adsorption states. The combined SERS-DFT study provided a framework towards investigating and designing adsorption systems at a molecular level, indicating the potential use in applications such as nano-sensors.
authors.affiliation: School of Chemistry and Environment, Beijing University of Aeronautics & Astronautics, 37 Xue Yuan Road, Hai Dian District, Beijing, 100191, China. pgyin@buaa.edu.cn guolin@buaa.edu.cn.
authors.forename: Ting-ting
authors.initials: TT
authors.lastname: You
authors.forename: Peng-gang
authors.initials: PG
authors.lastname: Yin
authors.forename: Li
authors.initials: L
authors.lastname: Jiang
authors.forename: Xiu-feng
authors.initials: XF
authors.lastname: Lang
authors.forename: Lin
authors.initials: L
authors.lastname: Guo
authors.forename: Shi-he
authors.initials: SH
authors.lastname: Yang