Designing All-Graphene Nanojunctions by Covalent Functionalization
Designing All-Graphene Nanojunctions by Covalent Functionalization
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nanojunctions. Our analysis shows that functionalization can be designed to tune electron affinities and ionization potentials of graphene flakes, and to control the energy alignment of frontier orbitals in …