Theoretical and experimental study on adsorption of benzoic acid molecules on silver clusters. (19th May 2018)

• Record Type: Journal Article
• Authors: Zhang, Shuili; Ma, Wenqiang; Zhang, Fuchun; Jing, Cuiyu; Wu, Ruizhi
• Is Part Of: Ferroelectrics. Volume 528(2018)
• Page Start: 99
• Page End: 107
• Publication Date: 2018-05-19
• Subjects: Adsorption behavior -- surface-enhanced Raman scattering -- density functional theory -- colloids and charge transition; Ferroelectricity -- Periodicals; Ferroelectric crystals -- Periodicals; 537
• DOI: 10.1080/00150193.2018.1448624
• Languages: English
• ISSNs: 0015-0193

Abstract

ABSTRACT: The adsorption behavior and charge transition of benzoic acid (BA) on silver nanoparticles are studied by the experiment and Density Functional Theory (DFT). The UV-visible adsorption spectrum of silver nanoparticle is investigated, and adsorption spectra of Ih-symmetry Ag13 are obtained. The main adsorption UV-visible adsorption band at 413 nm of silver colloidal with the experimental results is good agreement with that of Ag13 cluster.The surface-enhanced Raman scattering (SERS) on dried filter paper coated with silver nanoparticles and in silver aqueous colloids, indicates adsorption configurations of BA are similar. One Ag13 cluster with Ih-symmetry (Ih-Ag13 cluster) as a model of adsorbates is used to simulate Raman spectra of the adsorption configuration. Surprisingly, the calculated Raman spectra are in good agreement with experimental results. The Mulliken charge population analysis is obtained by calculation, which shows the charge characteristics of Ag13 nanoparticle.