单壁碳纳米管的生长模式和手性选择性
Growth Modes and Chiral Selectivity of Single-Walled Carbon Nanotubes
摘要：
化学气相沉积合成单壁碳纳米管实验，使用Fe催化剂，并交替甲烷和一氧化碳作为碳原料，导致不同直径的管之间的结的可逆形成。结合管/催化剂界面的原子模型，这表明管和其种子颗粒的直径的比率，表示生长模式，取决于催化剂内的碳分数。在一氧化碳的情况下，纳米颗粒强烈地富含碳，并且倾向于在垂直生长模式下使管去湿。交叉检查我们的结果与现有的报告，从过去十年的文献强烈表明，这些后者的条件应该有利于近扶手椅手性选择性经验观察。
英文摘要：
Chemical vapor deposition synthesis of single-walled carbon nanotubes experiments, using Fe catalyst, and alternating methane and carbon monoxide as carbon feedstocks, lead to the reversible formation of junctions between tubes of different diameters. Combined with an atomistic modeling of the tube / catalyst interface, this shows that the ratio of diameters of the tube and its seeding particle, denoting the growth mode, depends on the carbon fraction inside the catalyst. With carbon monoxide, nanoparticles are strongly carbon enriched, and tend to dewet the tube, in a perpendicular growth mode. Cross-checking our results with available reports from the literature of the last decade strongly suggests that these latter conditions should favor the near armchair chiral selectivity observed empirically.
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