Site-Selective Cu Deposition on Pt Dendrimer-Encapsulated Nanoparticles: Correlation of Theory and Experiment

被引：43

作者：

Carino, Emily V. ^{[1
,2
,3
]}

Kim, Hyun You ^{[1
,3
,4
]}

Henkelman, Graeme ^{[1
,3
,4
]}

Crooks, Richard M. ^{[1
,2
,3
]}

机构：

[1] Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA

[2] Univ Texas Austin, Ctr Electrochem, Austin, TX 78712 USA

[3] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA

[4] Univ Texas Austin, Inst Computat & Engn Sci, Austin, TX 78712 USA

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 134卷 / 09期

关键词：

COPPER UNDERPOTENTIAL DEPOSITION; SINGLE-CRYSTAL ELECTRODES; TOTAL-ENERGY CALCULATIONS; GLASSY-CARBON ELECTRODES; SURFACES; AU; ELECTROCATALYSTS; ADSORPTION; REACTIVITY; REDUCTION;

D O I：

10.1021/ja209115e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The voltammetry of Cu underpotential deposition (UPD) onto Pt atoms (Pt-147) is correlated to density functional theory (DFT) calculations. Pt dendrimer-encapsulated nanoparticles (DENs) containing an average of 147 Specifically, the voltammetric peak positions are in good agreement with the calculated energies for Cu deposition and stripping on the Pt(100) and Pt(111) facets of the DENs. Partial Cu shells on Pt-147 are more stable on the Pt(100) facets, compared to the Pt(111) facets, and therefore, Cu UPD occurs on the 4-fold hollow sites of Pt(100) first. Finally, the structures of Pt DENs having full and partial monolayers of Cu were characterized in situ by X-ray absorption spectroscopy (XAS). The results of XAS studies are also in good agreement with the DFT-optimized models.

引用

页码：4153 / 4162

页数：10

共 44 条

[1] Step decoration at Pt single crystal electrodes: role of the anion [J].