Evaluation of Constants of Electron–Phonon Coupling between Gas Molecules and Graphene

Abstract

The adsorption of CO, NO, NO₂, Н₂О, and NH₃ molecules on ideal graphene and graphene doped with aluminum is analyzed using simple models. The constants of electron–phonon coupling are evaluated with the Lennard-Jones 6–12 potential for ideal graphene and the 2–4 potential for doped graphene. It is demonstrated that the dimensionless electron–phonon-coupling constant for ideal graphene is ζ ≫ 1, while ζ ~ 1 corresponds to graphene doped with aluminum. Ways to use both types of graphene as a resistive gas sensor are discussed.