Abstract
We have investigated the structure and properties of copper nanorods composed of acentral atomic strand and polygonal tubes, using a classical molecular dynamicssimulation with a well-fitted many-body potential function of the second-momentapproximation of the tight-binding scheme. The ultra-thin multi-shell nanorodspossessed a hexagonal surface lattice and had needle-like edges. The structure ofpentagonal multi-shell nanorods was that of a square surface lattice fordiameters of several nanometres. The properties were close to those of aface-centred-cubic lattice, as the sub-units were composed of both triangular- andquadrangular-pyramid shapes oriented along the ⟨100⟩direction. Our investigation showed the relationship between ultra-thin multi-shellnanorods and a tetrahedron, and revealed that pentagonal copper nanorods canbe classified by three types of needle-like nanorods: (i) icosahedral, (ii) decahedraland (iii) decagonal discus.
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