扶手椅型到锯齿型石墨烯边缘：纳米管手性的起源？
Graphene edge from armchair to zigzag: the origins of nanotube chirality?
机构信息
Department of Mechanical Engineering and Materials Science, and the Smalley Institute for Nanoscale Science and Technology, Rice University, Houston, Texas 77005, USA.
出版信息
Phys Rev Lett. 2010 Dec 3;105(23):235502. doi: 10.1103/PhysRevLett.105.235502.
The energy of an arbitrary graphene edge, from armchair (A) to zigzag (Z) orientation, is derived in analytical form. It contains a "chemical phase shift" determined by the chemical conditions at the edge. Direct atomistic computations support the universal nature of the relationship, definitive for graphene formation, and shapes of the voids or ribbons. It has further profound implications for nanotube chirality selection and possibly control by chemical means, at the nucleation stage.
任意石墨烯边缘的能量，从扶手椅（A）到锯齿形（Z）取向，都以解析形式推导出来。它包含一个“化学相移”，由边缘的化学条件决定。直接的原子计算支持这种关系的普遍性，这对石墨烯的形成以及空洞或带状物的形状都是决定性的。它对碳纳米管手性选择以及在成核阶段可能通过化学手段进行控制具有更深远的影响。
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