In this study, we investigated the adsorption of gas molecules (H2S, CO) on pristine silicene using first principles calculation. The structure, electronic properties, and adsorption energy of H2S,CO/silicene are discussed thoroughly. We found that the pristine silicenewith low buckling structure is the most stable as compared with planar and high buckling structures. Silicene was able to detect a gas molecule which can be observed according tothe density of states analysis. Though a gas molecule adsorbed weakly, the electronic properties of the low buckling pristine silicene changed from semi-metal (zero band gap) to semiconductor. The adsorption energy of H2S and CO on silicene is 0.075 eV and 0.06 eV, respectively.

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