Theory of carbon nanocones: Mechanical chiral inversion of a micron-scale three-dimensional object
Theory of carbon nanocones: Mechanical chiral inversion of a micron-scale three-dimensional object
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DOI：
10.1103/physrevlett.93.255504
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发表时间：
2004-12-17
影响因子：
8.6
通讯作者：
Crespi, VH
中科院分区：
文献类型：
--
作者：
Jordan, SP;Crespi, VH
石墨烯锥有两种简并构型：它们的原始形状和它的逆形状。当顶点被压低的外部探头，模拟的机械响应是高度非线性的，一个广泛的恒定力模式后出现一个短的初始虎克定律政权。对于手征锥，终态是原系统的原子精确手征反转。如果石墨烯片的局部反射对称性被五个氢原子化学吸附到顶点所破坏，那么锥体的最大屈服强度增加了大约40%。圆锥几何形状的高度对称性可以以原子精度集中微米级的机械功，提供了一种激活特定化学键的方法。
Graphene cones have two degenerate configurations: their original shape and its inverse. When the apex is depressed by an external probe, the simulated mechanical response is highly nonlinear, with a broad constant-force mode appearing after a short initial Hooke's law regime. For chiral cones, the final state is an atomically exact chiral invert of the original system. If the local reflection symmetry of the graphene sheet is broken by the chemisorption of just five hydrogen atoms to the apex, then the maximal yield strength of the cone increases by similar to40%. The high symmetry of the conical geometry can concentrate micron-scale mechanical work with atomic precision, providing a way to activate specific chemical bonds.