科研之友
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摘要
We have investigated the structure and properties of copper nanorods composed of a central atomic strand and polygonal tubes, using a classical molecular dynamics simulation with a well-fitted many-body potential function of the second-moment approximation of the tight-binding scheme. The ultra-thin multi-shell nanorods possessed a hexagonal surface lattice and had needle-like edges. The structure of pentagonal multi-shell nanorods was that of a square surface lattice for diameters of several nanometres. The properties were close to those of a face-centred-cubic lattice, as the sub-units were composed of both triangular- and quadrangular-pyramid shapes oriented along the (100) direction. Our investigation showed the relationship between ultra-thin multi-shell nanorods and a tetrahedron, and revealed that pentagonal copper nanorods can be classified by three types of needle-like nanorods: (i) icosahedral, (ii) decahedral and (iii) decagonal discus.
- 出版日期2002-8
