Gold in graphene: In-plane adsorption and diffusion

被引：94
|
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.
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页数：3
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