Amorphous structures of Cu, Ag, and Au nanoclusters from first principles calculations

被引：124

作者：

Oviedo, J ^{[1
]}

Palmer, RE ^{[1
]}

机构：

[1] Univ Birmingham, Sch Phys & Astron, Nanoscale Phys Res Lab, Birmingham B15 2TT, W Midlands, England

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 117卷 / 21期

关键词：

D O I：

10.1063/1.1524154

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：

We have carried out first-principles density functional calculations for clusters of the coinage metals containing thirteen atoms (M-13, where M=Cu, Ag, or Au). We find that for this geometric "magic number" the low energy isomers are actually disordered, forming almost a continuous distribution as a function of energy. (C) 2002 American Institute of Physics.

引用

页码：9548 / 9551

页数：4

共 38 条

[1] Nanoclusters deposited on surfaces [J].

Binns, C .

SURFACE SCIENCE REPORTS, 2001, 44 (1-2) :1-49

[2] Self-assembly of nanoparticles into structured spherical and network aggregates [J].

Boal, AK ;

Ilhan, F ;

DeRouchey, JE ;

Thurn-Albrecht, T ;

Russell, TP ;

Rotello, VM .

NATURE, 2000, 404 (6779) :746-748

[3] Density functional study of structural and electronic properties of bimetallic silver-gold clusters: Comparison with pure gold and silver clusters [J].

Bonacic-Koutecky, V ;

Burda, J ;

Mitric, R ;

Ge, MF ;

Zampella, G ;

Fantucci, P .

JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (07) :3120-3131

[4] Shallow implantation of "size-selected" Ag clusters into graphite [J].

Carroll, SJ ;

Nellist, PD ;

Palmer, RE ;

Hobday, S ;

Smith, R .

PHYSICAL REVIEW LETTERS, 2000, 84 (12) :2654-2657

[5] Structural evolution of smaller gold nanocrystals: The truncated decahedral motif [J].

Cleveland, CL ;

Landman, U ;

Schaaff, TG ;

Shafigullin, MN ;

Stephens, PW ;

Whetten, RL .

PHYSICAL REVIEW LETTERS, 1997, 79 (10) :1873-1876

[6] Theoretical study of Cu-Au nanoalloy clusters using a genetic algorithm [J].

Darby, S ;

Mortimer-Jones, TV ;

Johnston, RL ;

Roberts, C .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (04) :1536-1550

[7] THE PHYSICS OF SIMPLE METAL-CLUSTERS - EXPERIMENTAL ASPECTS AND SIMPLE-MODELS [J].

DEHEER, WA .

REVIEWS OF MODERN PHYSICS, 1993, 65 (03) :611-676

[8] Structural consequences of the range of the interatomic potential - A menagerie of clusters [J].

Doye, JPK ;

Wales, DJ .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1997, 93 (24) :4233-4243

[9] Global minima for transition metal clusters described by Sutton-Chen potentials [J].

Doye, JPK ;

Wales, DJ .

NEW JOURNAL OF CHEMISTRY, 1998, 22 (07) :733-744

[10] Theoretical study of the structure of silver clusters [J].

Fournier, R .

JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (05) :2165-2177

← 1 2 3 4 →