Cohesive energy and line energy of graphene

Abstract

The theory presented enables calculating the cohesive energy and line energy (the work of formation of the unit border line length) of graphene from the first-principles data, which also yields estimate of the line tension of graphene at zero temperature. Contributions from chemical bonds and dispersion forces have been estimated separately to give a summary value of 16.7 × 10⁻¹⁰ J m⁻¹ for the line energy of graphene. The significance of line energy and line tension for nanotube formation is discussed.