WANG Jingxuan, ZHOU Qu, GUI Yingang, et al. Adsorption Properties of the C2H2 Characteristic Gas in Oil by Doped MoS2[J]. 2020, 46(6): 1962-1969.DOI:
掺杂硫化钼对油中特征气体C2H2的吸附性能
摘要
乙炔(C
2
H
2
)是油浸式变压器故障的重要故障特征气体
其组分浓度和产气速率可有效反映电力变压器油纸绝缘性能。为实现油中C
2
H
2
特征气体的快速、准确、有效检测
提出一种基于金属掺杂硫化钼(MoS
2
)基半导体气体传感器的油中C
2
H
2
特征气体检测方法。基于第一性原理计算了本征及贵金属(Au和Ag)掺杂MoS
2
材料对油中特征气体C
2
H
2
的吸附特性。计算并比较了吸附能、电荷转移量、电子态密度等吸附特性
结果表明掺杂MoS
2
对C
2
H
2
的吸附为化学吸附
而本征MoS
2
则显示出物理吸附特性
强度为Au掺杂MoS
2
>Ag掺杂MoS
2
>本征MoS
2
。理论计算所得吸附特性结果
有利于完善MoS
2
材料的气敏机理
为基于MoS
2
传感器的油中故障特征气体检测奠定了基础。
Abstract
Acetylene(C
2
H
2
) is one of the most important fault characteristic gases in oil-immersed transformer discharge faults. The concentration and production rate can effectively reflect the insulation performance of oil-paper power transformer. In order to realize the effective detection of C
2
H
2
characteristic gas in oil
a method for the detection of characteristic gases in oil by metal-doped molybdenum sulfide(Mo S2) based semiconductor gas sensor was proposed. Based on the first principle
the adsorption properties of C
2
H
2
by intrin
sic and noble metal(Au and Ag) doped MoS
2
materials were calculated. The adsorption properties
such as adsorption energy
charge transfer
and electron state density
were calculated and compared. The results show that the adsorption of C
2
H
2
by doped MoS
2
is chemisorption
while the intrinsic MoS
2
shows physical adsorption characteristics
the strength relationship is in the order of Au-MoS
2
> Ag-Mo S2 > MoS
2
. The results of theoretical calculation of adsorption characteristics are conducive to the improvement of gas-sensing mechanism of MoS
2
materials and lay a foundation for sensor detection of characteristic fault gases in oil.