Non-hexagonal symmetry-induced functional T graphene for the detection of carbon monoxide

Unlike on hexagonal graphene where Li atoms tend to cluster, using density functional theory, we demonstrate that Li atoms remain isolated on tetrasymmetrical T graphene due to a nonuniform charge distribution in T graphene. Furthermore, we examine the adsorption of several common gas molecules and find that Li-decorated T graphene exhibits a high sensitivity to CO. The CO adsorption strength can be manipulated by an external electric field, resulting in a short recovery time. Our results provide an insight to build promising nanosensors based on two-dimensional carbonic materials beyond hexagonal symmetry.