First-principles approach to design and evaluation of graphene as methane sensors

In this work, graphene for use as methane (CH4) sensors has been designed and evaluated via first-principles theory. Firstly, the effect of the number of layers of graphene on methane adsorption is investigated. The results show that the methane adsorption will be increased with the number of layers, the maximum energy is 0.267 eV. Furthermore, the adsorption of CH4 leads to a small opening of the band structure of graphene. As for the doping...