Adsorption Properties of Pd3-Modified Double-Vacancy Defect Graphene toward SF6 Decomposition Products

Li, Jie; Pang, Lei; Cai, Fuwei; Yuan, Xieyu; Kong, Fanyu

doi:10.3390/s20154188

Cited by 4 publications

(3 citation statements)

References 36 publications

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“…Figure 1 b depicts the optimized configurations of three characteristic decomposition components of SF 6 . The bond length and bond angle of each gas molecule are marked in the figure, which is consistent with the literature [ 28 , 29 ].…”

Section: Resultssupporting

confidence: 87%

The Adsorption and Sensing Performances of Ir-modified MoS2 Monolayer toward SF6 Decomposition Products: A DFT Study

Liu

Wang

et al. 2021

Nanomaterials

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In this paper, the Ir-modified MoS2 monolayer is suggested as a novel gas sensor alternative for detecting the characteristic decomposition products of SF6, including H2S, SO2, and SOF2. The corresponding adsorption properties and sensing behaviors were systematically studied using the density functional theory (DFT) method. The theoretical calculation indicates that Ir modification can enhance the surface activity and improve the conductivity of the intrinsic MoS2. The physical structure formation, the density of states (DOS), deformation charge density (DCD), molecular orbital theory analysis, and work function (WF) were used to reveal the gas adsorption and sensing mechanism. These analyses demonstrated that the Ir-modified MoS2 monolayer used as sensing material displays high sensitivity to the target gases, especially for H2S gas. The gas sensitivity order and the recovery time of the sensing material to decomposition products were reasonably predicted. This contribution indicates the theoretical possibility of developing Ir-modified MoS2 as a gas sensor to detect characteristic decomposition gases of SF6.

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Section: Resultssupporting

confidence: 87%

The Adsorption and Sensing Performances of Ir-modified MoS2 Monolayer toward SF6 Decomposition Products: A DFT Study

Liu

Wang

et al. 2021

Nanomaterials

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“…Graphene materials have a unique single atomic layer structure and electronic band structure. Its excellent properties, such as high electron mobility, high thermal conductivity, and large specific surface area, make it an excellent candidate material for gas sensors [70][71][72][73]. Pd 3 doped with graphene (Pd 3 -graphene) can chemically adsorb H 2 S, SO 2 , SOF 2 , and SO 2 F 2 and has the best sensitivity to SOF 2 gas.…”

Section: D (Two-dimensional) Materials Sensor Materialsmentioning

confidence: 99%

Monitoring and Leak Diagnostics of Sulfur Hexafluoride and Decomposition Gases from Power Equipment for the Reliability and Safety of Power Grid Operation

Yang,

Wang,

Chen

et al. 2024

Applied Sciences

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Sulfur hexafluoride (SF6) is a typical fluorine gas with excellent insulation and arc extinguishing properties that has been widely used in large-scale power equipment. The detection of SF6 gas in high-power electrical equipment is a necessary measure to ensure the reliability and safety of power grid operation. A failure of SF6 insulated electrical equipment, such as discharging or overheating conditions, can cause SF6 gas decomposition, resulting in various decomposition products. The decomposed gases inside the equipment decrease the insulating properties and are toxic. The leakage of SF6 can also decrease the insulating properties. Therefore, it is crucial to monitor the leakage of SF6 decomposed gases from electrical equipment. Quantitative testing of decomposition products allows us to assess the insulation state of the equipment, identify internal faults, and maintain the equipment. This review comprehensively introduces the decomposition formation mechanism of SF6 gas and the current detection technology of decomposition products from the aspects of principle and structure, materials, test effect, and practicability. Finally, the development trends of SF6 and decomposition gas detection technology for the reliability and safety of power grid operation are prospected.

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“…Existing density functional theory studies on gas adsorption and sensing have demonstrated that introducing d-orbital electron activity through transition metal particle doping can enhance the intrinsic electron activity of the material, thereby achieving more ideal gas capture capabilities [ 9 , 29 , 30 ]. Furthermore, TM 3 clusters are considered the most stable small cluster doping structure and have been widely adopted to enhance various material properties [ 31 , 32 , 33 ].…”

Section: Introductionmentioning

confidence: 99%

Adsorption Mechanisms of TM3 (TM = Mo, Ru, Au)-Decorated Tin Sulfide Monolayers for the Decomposition of Gas Components under Fault Conditions in Oil-Immersed Transformers

Li,

Wang,

et al. 2024

Molecules

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Oil-immersed transformers play a pivotal role owing to their environmentally friendly characteristics, compact footprint, and cost-effectiveness. Ensuring the online monitoring of oil-immersed transformers is a fundamental measure to ensure the secure and stable operation of modern power systems. In this paper, metal particle cluster-doped SnS is firstly used in the adsorption and sensing of decomposition components (CO, C2H2) under fault conditions in oil-immersed transformers. The study comprehensively analyzed band structure, differential charge density, density of states, and molecular orbital theory to unveil the adsorption and sensing mechanisms of target gases. The findings suggest that the modification of metal particle clusters can enhance the surface electronic properties of single-layer SnS. In the regions of metal particle clusters and the gas–surface reaction area, electronic activity is significantly heightened, primarily attributed to the contribution of d-orbital electrons of the metal cluster structures. The modified SnS exhibits adsorption capacity in the following order: Ru3-SnS > Mo3-SnS > Au3-SnS. Additionally, the modified material demonstrates increased competitiveness for C2H2, with adsorption types falling under physical chemistry adsorption. Different metal elements exert diverse effects on the electronic distribution of the entire system, providing a theoretical foundation for the preparation of corresponding sensors. The findings in this work offer numerical insights for the further preparation and development of SnS nanosensors, concurrently shedding light on the online monitoring of faults in oil-immersed transformers.

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Adsorption Properties of Pd3-Modified Double-Vacancy Defect Graphene toward SF6 Decomposition Products

Cited by 4 publications

References 36 publications

The Adsorption and Sensing Performances of Ir-modified MoS2 Monolayer toward SF6 Decomposition Products: A DFT Study

The Adsorption and Sensing Performances of Ir-modified MoS2 Monolayer toward SF6 Decomposition Products: A DFT Study

Monitoring and Leak Diagnostics of Sulfur Hexafluoride and Decomposition Gases from Power Equipment for the Reliability and Safety of Power Grid Operation

Adsorption Mechanisms of TM3 (TM = Mo, Ru, Au)-Decorated Tin Sulfide Monolayers for the Decomposition of Gas Components under Fault Conditions in Oil-Immersed Transformers

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