Gas-insulated switch cabinets play a significant role
in the power
industry, and eco-friendly switch cabinets are the hotspot of current
development. With the research of alternative gases for SF6, fluorocarbon insulating gases possessing stable physicochemical
properties provide a new insight for scientists. This work studies
the sensing and adsorption properties of the Pt–MoSe2 monolayer for fluorocarbon gas characteristic decomposition products
of COF2, CF4, and C2F6 in terms of stability, adsorption energy (E
ad), charge transfer (Q
T), band
structure (BS), and density of states (DOS) as well as electronic
structure based on first principles. The simulation results described
Pt as an electron donor in the doping process on the MoSe2 monolayer with a binding force (E
b)
of −3.739 eV. The E
ad values of
the COF2, CF4, and C2F6 gas systems are −0.689, −0.176, and −0.266
eV, respectively. By comparing the BS and DOS of the adsorption system
before and after, gas systems become more active, especially the COF2 system. Besides, gas molecules all play the role of an electron
acceptor in the adsorption process and the Q
T of the COF2 system is up to −0.259e. According to the analysis of this paper, Pt-doping can
improve the sensing and adsorption properties of the MoSe2 monolayer and the monolayer shows different adsorption phenomena
for three gases. The monolayer has a better adsorption effect on
COF2, which provides a strong basis for the selective detection
of gas sensors.