Theoretical limits of electron and hole doping in single-layer graphene from DFT calculations

Chem. Commun., 2025, Accepted Manuscript DOI: 10.1039/D5CC02642C, Communication Dawid Adam Ciszewski, Wojciech Grochala Density functional theory calculations suggest a pronounced hole-electron doping asymmetry in a single-layer graphene. It turns out that a single graphene sheet can sustain doping levels up to 0.1 holes...