Ligand-Protected Gold Alloy Clusters: Doping the Superatom

被引：88

作者：

Walter, Michael ^{[1
,2
]}

Moseler, Michael ^{[1
,3
]}

机构：

[1] Univ Freiburg, Modelling Funct Nanosyst, Dept Phys, D-79106 Freiburg, Germany

[2] Freiburg Mat Res Ctr, D-79104 Freiburg, Germany

[3] Fraunhofer Inst Mech Mat, D-79108 Freiburg, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2009年 / 113卷 / 36期

关键词：

CRYSTAL-STRUCTURE; AU-25; NANOPARTICLE; CHEMISTRY;

D O I：

10.1021/jp9023298

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A density functional study of the experimentally observed ligand-protected gold alloy clusters PdAu(12)(PR(3))(8)Cl(4) and PtAu(6)Ag(6)(AgI(3))(2)(PR(3))(6) reveal the same stabilization mechanism as in ligand protected pure Au(N): the delocalized s-electron subsystem of a high symmetry metal core exhibits a shell closing. On the basis of this observation it is predicted that the substitution of a single Au atom in the well-known Au(25)(SR)(18) compound with Pd, Ag, and Cd will produce stable clusters resulting in a method to tune redox properties in such a nanoscale building block.

引用

页码：15834 / 15837

页数：4

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