Density Functional Investigation of Graphene Doped with Amine-Based Organic Molecules

Table 1

HOMO and LUMO orbital energies (in eV) for graphene, molecules, and graphene-molecule systems and Fermi-level energies (in eV) for graphene and graphene-molecule systems.

	PG	1	2	3	PG+1	PG+2	PG+3
HOMO	−5.49	−4.61	−4.36	−5.18	−4.90	−4.75	−5.45
LUMO	−3.49	−1.37	−1.19	−3.06	−3.51	−3.59	−3.57
Fermi level	−4.49	—	—	—	−4.42	−4.58	−4.52