Electronic and Field Emission Properties of Carbon Nanocones: A Density Functional Theory Investigation

Using density functional theory calculations, we investigate the electronic structures and field emission properties of carbon nanocones (CNCs). We find that the cohesive and formation energies for various types of CNCs are dependent on the cone angles, while the work function, local density of states, redistribution of the charge, and field emission pattern are sensitive to the morphologies of CNCs that are governed by the position of pentagonal rings in the cone apex. Most importantly, the nanocone with three pentagons in the cone apex exhibits the best field emission property.