Interactions of Gas Molecules with Monolayer MoSe 2 : A First Principle Study
Files
Date
2016
Journal Title
Journal ISSN
Volume Title
Publisher
AIP Publishing
Abstract
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
Description
Keywords
DFT, Electronic properties, Band structure
Citation
Interactions 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)