Molecular Vibrational Effects in Electron Transport of Ultra Thin and Narrow Gas Sensors: An ab-initio Study

Abstract

We study the electron transport properties of one atomic layer thin (ultra thin) and ~1 nm wide (ultra narrow) graphene nanoribbons (GNR), with carbonous oxides (CO/CO2) adsorbed on GNR lattice. We use accurate quantum mechanical modeling that includes dispersive forces, together with Greens Function methodology to calculate trasnport. Electron-phonon interactions and room-temperature effects are included. We observed that both CO and CO2 are physisorbed on the GNR lattice. We discuss the contribution of each phonon mode to electron transmission.