Mechanism of copper underpotential deposition at Pt( hkl )-electrodes: Quantum-chemical modelling.

Autor: A. Danilov, R. Nazmutdinov, T. Zinkicheva, E. Molodkina, A. Rudnev, Yu. Polukarov, J. Feliu
Předmět:
Zdroj: Russian Journal of Electrochemistry; Jun2008, Vol. 44 Issue 6, p697-708, 12p
Abstrakt: Abstract  Mechanism of copper underpotential deposition at stepped faces of platinum single crystals Pt(hkl) is studied using cyclic voltammetry, scanning probe microscopy, and quantum-chemical modelling. It is shown that the first stage of UPD is one-dimensional decoration of the (100)- or (110)-orientated steps, then copper monolayer forms at (111)-terraces. The final stage is the secondary step decoration. Quantum-chemical modelling, with the using of long-distance potentials of the Cu-Pt and Cu-Cu pair interactions, allows estimating the energy of copper adsorption at different structure elements of the substrate (steps, kinks, terraces) and revealing the succession of the adatom monolayer formation; it also provides additional information for the identifying of the nature of voltametric peaks for different stages of the copper adsorption-desorption. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index