(AIP Publishing, 2016) Sharma, Munish; Jamdagni, Pooja; Kumar, Ashok; Ahluwalia, P. K.
We present a first principle study of interaction of toxic gas molecules (NO, NO2 and SO2) with MoSe2. The predicted order of sensitivity of gas molecule is NO2 > SO2 > NO. strongly influence the electronic behaviour of MoSe2 by inducing in the vicinity of Fermi energy. NO and SO2 is found to induce p-type effect while to metallic transitions occur on NO2 Our findings may guide the experimentalist for sensor based on MoSe2
