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中文摘要：
采用分子动力学模拟方法研究了graphene条带上生长硅纳米结构的过程,分析了不同温度下硅原子在graphene条带边沿生成的新型纳米结构.研究表明,随机分布的硅原子吸附到锯齿型graphene条带边沿在不同的温度T下可生成不同类型的硅纳米结构：300K≤T〈2000K时形成无规则的团簇,2000K≤T≤2800K时形成单原子链结构,2800K%@ 1000-3290
英文摘要：
In this paper, we have studied formation processes of silicon nanostructures on edges of graphene ribbons by molecular dynamics simulation. We found that, Si atoms in a gas state can be absorbed on the edges of zigzag graphene ribbons, forming different types of silicon nanostructures under different temperature T, namely, amorphous clusters,chain structures, and defective chain structures in the intervals 300 K ≤ T 〈 2000 K, 2000 K ≤ T ≤2800 K and 2800 K 〈 T 〈 3900 K, respectively. At T ≥ 3900 K, carbon atoms on the edges of graphene ribbons are gradually replaced by Si atoms. For the graphene ribbons with armchair edges, existence of multiple adsorption sites does not allow growth of chain-like Si nanostructures.
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