Catalytic properties of Au electrodes modified by an underlayer of Pd

María Fernanda Juárez , Germán Soldano , Hazar Guesmi (1) , Frederik Tielens (2) , Elizabeth Santos (3, 4)

1 ICGM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
2 LCMCP - Laboratoire de Chimie de la Matière Condensée de Paris
3 IFEG - Instituto de Fisica Enrique Gaviola
4 Institut für Theoretische Chemie

Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis.

Domaines: Chimie de coordination

María Fernanda Juárez, Germán Soldano, Hazar Guesmi, Frederik Tielens, Elizabeth Santos. Catalytic properties of Au electrodes modified by an underlayer of Pd. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2015, Surface Science and Electrochemistry - 20 years later, 631, pp.235-247. ⟨10.1016/j.susc.2014.06.015⟩. ⟨hal-01118665⟩