Cu underpotential deposition on Au(111) and Au(100). Can this be explainedin terms of the energetics of the Cu/Au system?

In this work we undertake a first principles study of the deposition of Cop per on Au(111) and Au(100) surfaces from a density functional point of view : The analysis of the different energetic contributions to the so-called un derpotential shift indicates that the deposition of Cu on any of these surf aces should occur at overpotentials. We conclude that some other factors mu st be taken into account to explain the experimental results, such as anion coadsorption. We also analyze the work function and the electronic density in the system. (C) 1999 Elsevier Science Ltd. All rights reserved.