ZHANG Xiaoxing, WANG Jincong, CHEN Dachang, et al. Calculation of Adsorption Performance Ti Dopped with MoS2 to CF4,C2F6 and COF2 Based on the First-principle[J]. High voltageapparatus, 2021, 57(3): 89-96+103.
ZHANG Xiaoxing, WANG Jincong, CHEN Dachang, et al. Calculation of Adsorption Performance Ti Dopped with MoS2 to CF4,C2F6 and COF2 Based on the First-principle[J]. High voltageapparatus, 2021, 57(3): 89-96+103. DOI: 10.13296/j.1001-1609.hva.2021.03.016.
fluorocarbon environment-friendly insulating gas as a potential alternative to SF
6
gas un-der certain conditions has been widely concerned
in which CF
4
C
2
F
6
and COF
2
are the three main decompositionproducts of carbon-fluorine insulating gas.In this paper
the adsorption ch
aracteristics of above three types of gaseson Ti doped MoS
2
are discussed based on the first-principle.The adsorption energy
charge transfer and state densityof different gas molecules are calculated and compared in case of absorption of different molecule of gases.It isshown by the result that Ti-MoS
2
has a strong adsorption on COF
2
is insensitive to CF
4
and C
2
F
6
and its interactionforce is mainly Van der Waals force.After the adsorption of COF
2
the conductivity of Ti-MoS
2
will increase
while
the conductivity of Ti-Mo S
2
will decrease after the adsorption of CF
4
and C
2
F
6
.Therefore
Ti-doped MoS
2
can selec-tively detect three kinds of gases
which may be used as a new type of resistance gas sensor in the field of on-linemonitoring of gas insulated equipment.