Simulation of UPD-electrocatalysis on single crystal surfaces

✍ Scribed by M. Alvarez; K. Jüttner

• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 646 KB
• Volume: 33
• Category: Article
• ISSN: 0013-4686
• DOI: 10.1016/0013-4686(88)80028-8

✦ Synopsis

An atomistic model is presented which can be used for the mathematical analysis of catalytic effects caused by underpotential metal deposition (UPD) on faradayic processes at single crystal surfaces. The model is based on the assumption that the metal ad-atoms form regular superlattice structures depending on the crystallographic orientation of the substrate and the relative size of the substrate and adsorbate atoms. A least square fit procedure yields information as to what extent a preselected set of possible ad-atom configurations contributes to the overall catalytic effect. The model analysis was successfully applied to the hydrogen peroxide reduction catalysis by UPD of lead on Au( 111) and Au( 100) single crystal surfaces as an example.