BAI Jin, FENG Yao, ZHOU Xiu, et al. Study on the Adsorption Characteristics of NiO-doped MoTe2 for Trace H2O in Transformer[J]. High Voltage Apparatus, 2026, 62(3): 89-95.
DOI:
BAI Jin, FENG Yao, ZHOU Xiu, et al. Study on the Adsorption Characteristics of NiO-doped MoTe2 for Trace H2O in Transformer[J]. High Voltage Apparatus, 2026, 62(3): 89-95. DOI: 10.13296/j.1001-1609.hva.2026.03.011.
Study on the Adsorption Characteristics of NiO-doped MoTe2 for Trace H2O in Transformer
)和差分电荷密度(DCD)为计算对象,基于泛函密度函数理论(density function theory,DFT)计算研究了过渡金属氧化物(NiO)掺杂对单层MoTe
2
吸附参数和电子性质的影响。结果表明:与本征单层MoTe
2
相比,过渡金属氧化物(NiO)掺杂单层MoTe
2
的化学活性明显增强。此外,NiO掺杂的单层MoTe
2
对H
2
O分子均表现出优异的吸附及解吸附能力。因此,基于NiO掺杂的单层MoTe
2
气敏材料可进一步用于在油浸式变压器微量水分的在线监测领域。
Abstract
The trace moisture in oil-immersed transformers seriously affects the oil-paper insulation performance of transformers. It is important to realize online monitoring of the trace moisture in transformers. In this paper
the adsorption structure
adsorption energy (
E
a
)
charge transfer (Δ
Q
)
density of states (DOS)
the highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO)
work function (
WF
) and differential charge densi
ty (DCD) of water molecules (H
2
O) on NiO doped MoTe
2
monolayers are taken as the calculation object. Based on density function theory (DFT) calculation
the effects of transition metal oxide (NiO) doping on the adsorbed parameters and electronic properties of MoTe
2
monolayer are studied for the adsorption mechanism. The result shows that the chemical activity of transition metal oxides (NiO) doped MoTe
2
monolayer is significantly enhanced compared with the pristine MoTe
2
monolayer. In addition
NiO doped MoTe
2
monolayer shows excellent adsorption and desorption ability for H
2
O molecules. Therefore
the NiO dopped MoTe
2
monolayer gas sensing materials can be further applied in the field of online monitoring of trace moisture in oil-immersed transformers.
关键词
Keywords
references
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