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

被引：15

作者：

Danilov, A. I. ^{[1
]}

Nazmutdinov, R. R. ^{[2
]}

Zinkicheva, T. T. ^{[2
]}

Molodkina, E. B. ^{[1
]}

Rudnev, A. V. ^{[1
]}

Polukarov, Yu. M. ^{[1
]}

Feliu, J. M. ^{[3
]}

机构：

[1] Russian Acad Sci, Frumkin Inst Phys Chem & Electrochem, Moscow 119991, Russia

[2] Kazan State Technol Univ, Kazan 420015, Tatarstan, Russia

[3] Univ Alicante, Inst Electrochem, E-03080 Alicante, Spain

来源：

RUSSIAN JOURNAL OF ELECTROCHEMISTRY | 2008年 / 44卷 / 06期

基金：

俄罗斯基础研究基金会;

关键词：

Pt(hkl); copper; adatoms; monoatomic (100) and (111) steps; kinks; quantum-chemical modelling;

D O I：

10.1134/S1023193508060104

中图分类号：

O646 [电化学、电解、磁化学];

学科分类号：

081704 ;

摘要：

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.

引用

页码：697 / 708

页数：12

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