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

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...

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Published in:	Russian journal of electrochemistry 2008-06, Vol.44 (6), p.697-708
Main Authors:	Danilov, A. I., Nazmutdinov, R. R., Zinkicheva, T. T., Molodkina, E. B., Rudnev, A. V., Polukarov, Yu. M., Feliu, J. M.
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Language:	English
Subjects:	Chemistry Chemistry and Materials Science Electrochemistry Physical Chemistry
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container_title	Russian journal of electrochemistry
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description	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.
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subjects	Chemistry Chemistry and Materials Science Electrochemistry Physical Chemistry
title	Mechanism of copper underpotential deposition at Pt(hkl)-electrodes: Quantum-chemical modelling
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