Ab initio study of field emission from graphitic ribbons.

Abstract

We have performed first-principles calculations on field emission (FE) from graphitic ribbons within the time-dependent density-functional theory. An important finding is that dangling bond states localized at clean edges are major contributors to FE current. H termination makes the FE current small due to the disappearance of the dangling-bond states. FE is found not to occur from the edge state of a H-terminated zigzag ribbon even when the state is at the Fermi level. The results of the FE current from graphitic ribbons give approximately 1 microA for maximum of FE current from a circular edge of graphitic sheets with approximately 1 nm diameter of an open-ended multiwalled carbon nanotube under a high electric field of approximately 1 V/A.