Chemical Physics Letters, Vol.637, 26-31, 2015
Electron affinity and ionization potential of two-dimensional honeycomb sheets: A first principle study
We perform first principle calculations based on density functional theory to study the electron affinity and ionization potential of two-dimensional structures of carbon family, group-III-nitride family and transition-metal dichalcogenide family. We found and explained the atomic number dependence of electron affinity and ionization potential. (C) 2015 Elsevier B.V. All rights reserved.