Inducing energy gaps in monolayer and bilayer graphene: Local density approximation calculations

Abstract

In this paper we study the formation of energy gaps in the spectrum of graphene and its bilayer when both these materials are covered with water and ammonia molecules. The energy gaps obtained are within the range 20--30 meV, values compatible to those found in experimental studies of graphene bilayer. We further show that the binding energies are large enough for the adsorption of the molecules to be maintained even at room temperature.