Two-dimensional (2D) layered materials are currently being considered as entrant for future electronic devices. Molybdenum disulphide (MoS2) belongs to a family of layered transitional metal dichalcogenides (TMDS), has a unique characteristics of showing intrinsic semiconducting nature is being considered a major advantageous over graphene (which has no intrinsic band gap) as a two-dimensional (2D) channel material in field effect transistors (FET). In the paper, the results of investigations are presented concerning the affects of adsorption of NO2 gas on the surface of MoS2, defect-MoS2, Si - MoS2 and Fe - MoS2 layer. The changes density of states (DOS) and electrostatic difference potential of Si - MoS2 by applying different gate voltage were studied. We proposed that, NO2 might play an important role on MoS2 layer that can be used as gas sensor. In the research, it has been shown that in the case of gas sensor, the adsorption of NO2 with MoS2, Fe - MoS2, Si - MoS2 and defect-MoS2 play an important rule for sensing behavior.

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