Susi, T., et al., Calculation of the graphene C 1s core level binding energy, Phys. Rev. B 91, 081401(R) (2015). doi:10.1103/PhysRevB.91.081401
Susi T., et al., Core level binding energies of functionalized and defective graphene, Beilstein J. Nanotechnol. 5, 121-132 (2014). doi:10.3762/bjnano.5.12
Density functional theory
Density functional theory (DFT) is one of the most powerful tools for simulating the properties of materials. Besides accurately predicting properties such as the electronic and phonon band structures, DFT can be used to understand measurement techniques such as x-ray photoemission spectroscopy.