Editions universitaires - Vandenhoeck und Ruprecht
Doi
Abstract
A combination of scanning transmission electron microscopy, electron energy loss spectroscopy, and <i>ab initio</i> calculations is used to describe the electronic structure modifications incurred by free-standing graphene through two types of single-atom doping. The N <i>K</i> and C <i>K</i> electron energy loss transitions show the presence of π* bonding states, which are highly localized around the N dopant. In contrast, the B <i>K</i> transition of a single B dopant atom shows an unusual broad asymmetric peak which is the result of delocalized π* states away from the B dopant. The asymmetry of the B <i>K</i> toward higher energies is attributed to highly localized σ* antibonding states. These experimental observations are then interpreted as direct fingerprints of the expected p- and n-type behavior of graphene doped in this fashion, through careful comparison with density functional theory calculations