Understanding the interface between oxides and metals

Faraday Discuss. 2003:124:185-203; discussion 205-13, 453-5. doi: 10.1039/b211661h.

Abstract

Computational methods based on DFT are applied to modelling structure and bonding in oxide supported metals. We examined three systems of contemporary interest: Cu/ZnO, Pd,Pt/ZrO2 and bimetallic transition metal clusters on silica supports.