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arXiv 1012.1185cond-mat.mtrl-scicond-mat.other
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石墨烯上垂直生长的碳链

Carbon chains grown perpendicularly on graphene

C. Ataca, S. Ciraci

摘要:

基于第一性原理计算,我们预测了一个特殊的生长过程中,吸附到石墨烯的碳吸附原子容易在室温以上扩散和成核连接到石墨烯的线性碳链段。通过从底端一次一个地插入碳原子,这些链在石墨烯上生长得更长,并显示出自组装行为。最终,碳的两种同素异形体,即石墨烯和累积多烯结合在一起,表现出重要的功能。石墨烯上的碳链段成为化学活性位点,以结合外来原子或大分子。当结合到碳链的末端时,过渡金属原子Ti、Co和Au将磁性基态归因于石墨烯片并且介导与互连的稳定接触。我们发现碳链也可以在单壁碳纳米管上生长。

英文摘要:

Based on first-principles calculations we predict a peculiar growth process, where carbon adatoms adsorbed to graphene readily diffuse above room temperature and nucleate segments of linear carbon chains attached to graphene. These chains grow longer on graphene through insertion of carbon atoms one at a time from the bottom end and display a self-assembling behavior. Eventually, two allotropes of carbon, namely graphene and cumulene are combined to exhibit important functionalities. The segments of carbon chains on graphene become chemically active sites to bind foreign atoms or large molecules. When bound to the ends of carbon chains, transition metal atoms, Ti, Co and Au, attribute a magnetic ground state to graphene sheets and mediate stable contacts with interconnects. We showed that carbon chains can grow also on single wall carbon nanotubes.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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