Chemical Physics Letters, Vol.407, No.4-6, 327-332, 2005
Synthesis and electronic properties of coalesced graphitic nanocones
Thermal annealing of graphitic conical nanofibers, produced by pyrolysing Pd precursors under an Ar atmosphere at 8501000 degrees C, results in the coalescence of adjacent cones. These novel cone-like arrangements exhibit heptagonal and pentagonal carbon rings located in the cauterized rims between adjacent cones. We propose molecular models that resemble such structures and calculate their electronic properties using a self-consistent local approach based on a realistic tight-binding Hamiltonian. The calculations demonstrate that coalesced cones exhibit a conducting behaviour and a local analysis of the density of states (DOS) reveals that curvature is crucial in modifying the electronic structure. (c) 2005 Elsevier B.V. All rights reserved.