O-Tu-Jon-8 Density Functional Theory and Force-field Studies of the Pt(111)/electrolyte Interface: Sulfate Adsorption and Interfacial Water Properties

Tuesday, June 4, 2013: 1:30 PM
Jones (Galt House Hotel)
Kuan-Yu Yeh, Janna K. Maranas and Michael Janik, Pennsylvania State University, USA.
The electrode/electrolyte interfacial structure can affect electrocatalytic activity.  We examine the specific adsorption of sulfate anions with DFT methods and examine the dynamical water structure with force-field MD methods, both on the electrified Pt(111) surface.

Extended Abstracts: