Sharma, MunishJamdagni, PoojaKumar, AshokAhluwalia, P. K.2017-08-092024-08-132017-08-092024-08-132016Interactions of gas molecules with monolayer MoSe2: A first principle study” Munish Sharma, Pooja Jamdagni, Ashok Kumar, P. K. Ahluwalia AIP Conference Proceeding 1731 140045 (2016)978-0-7354-1378-810.1063/1.4948211http://10.2.3.109/handle/32116/315We 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 MoSe2enDFTElectronic propertiesBand structureArticlehttps://aip.scitation.org/doi/abs/10.1063/1.4948211