Gold in graphene: In-plane adsorption and diffusion

被引：97

作者：

Malola, Sami ^{[1
]}

Hakkinen, Hannu ^{[1
,2
]}

Koskinen, Pekka ^{[1
]}

机构：

[1] Univ Jyvaskyla, Dept Phys, NanoSci Ctr, Jyvaskyla 40014, Finland

[2] Univ Jyvaskyla, Dept Chem, NanoSci Ctr, Jyvaskyla 40014, Finland

来源：

APPLIED PHYSICS LETTERS | 2009年 / 94卷 / 04期

基金：

芬兰科学院;

关键词：

adsorption; density functional theory; gold; graphene; surface diffusion; vacancies (crystal); CARBON NANOTUBES; MIGRATION; ELECTRON; BINDING;

D O I：

10.1063/1.3075216

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We study the bonding and diffusion of Au in graphene vacancies using density-functional theory. Energetics show that Au adsorbs preferably to double vacancies, steadily in-plane with graphene. All diffusion barriers for the complex of Au in double vacancy are above 4 eV, whereas the barriers for larger vacancies are below 2 eV. Our results support the main results of a recent experiment [Y. Gan , Small 4, 587 (2008)] but suggest that the observed diffusion mechanism is not thermally activated but radiation enhanced.

引用

页数：3

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