Title: Theoretical study of the binding modes of carboxylate on Au-NP
Abstract: The nature of the interaction between citrate (and other carboxylates) and AuNPs in terms of the modes of coordination at the surface has been investigated in both cluster model Au55 and extended clusters (surface like model) Au100 and Au111. Thanks to NMR simulation, we were able to assign the three binding modes (3 pics from 13C NMR spectroscopy at 162,164 and 167 ppm) to its corresponding geometries.
Muna Alblawi - Date: 30 November 2016
Prof. Rifaat Hilal - Date: 14 Dec 2016
Amani - Date: 21 Dec 2016
Prof. Osman Abdelkarim - Date: 28 Dec 2016
Title: Proton-Coupled Electron Transfer (PCET) in Dye-sensitized Solar Cells (DSSCs): A Theoretical Perspective
Abstract: Proton-coupled electron transfer (PCET) is common in redox reactions. It involves the concerted transfer of an electron and proton to or from a substrate. The proton and the electron start from different orbitals and are transferred to different orbitals.
Dr. Walid Hassan - Date: 4 Jan 2017