Graphene oxide nanoribbons decorated with Cu and CuO as H2S gas sensor optimized with DFT

A DFT modulated analysis of manganese doped graphene nanoribbons as a potential material for sensing of highly toxic gases CO, PH3 and SbH3

“…To combine the features of diverse materials, GNRs electrical and quantum transport characteristics can be altered by adding the dopants to strengthen gas-sensitive features [12]. Particularly, transition metals (TMs) doping due to their high catalytic activity, changing oxidation states, high density, and other properties, has been predicted an effective way to foster the gas molecule adsorption [13][14][15]. In this process, the gas gives σ-electrons to unoccupied d-orbitals of the dopant metal resulting in the stretched bond of the gas.…”