scholarly journals Platinum modified MoS2 monolayer for adsorption and gas sensing of SF6 decomposition products: a DFT study

High Voltage ◽  
2020 ◽  
Vol 5 (4) ◽  
pp. 454-462 ◽  
Author(s):  
Yingang Gui ◽  
Jinzhi Shi ◽  
Pingan Yang ◽  
Tao Li ◽  
Chao Tang ◽  
...  
Keyword(s):  
Gas Sensing ◽  
Dft Study ◽  
Decomposition Products ◽  
Mos2 Monolayer ◽  
Sf6 Decomposition

scholarly journals A DFT study on the adsorption of Ga-BNNT to SF6 decomposition products under partial discharge

2019 ◽  
Vol 14 ◽  
pp. 102419 ◽  
Author(s):  
Hai Qian ◽  
Jun Deng ◽  
Haibin Zhou ◽  
Xu Yang ◽  
Wei Chen
Keyword(s):  
Partial Discharge ◽  
Dft Study ◽  
Decomposition Products ◽  
Sf6 Decomposition

Gas-sensing properties of Ptn-doped WSe2 to SF6 decomposition products

2021 ◽  
Vol 97 ◽  
pp. 452-459
Author(s):  
Lingna Xu ◽  
Yingang Gui ◽  
Wenjun Li ◽  
Qiaomei Li ◽  
Xianping Chen
Keyword(s):  
Gas Sensing ◽  
Decomposition Products ◽  
Sensing Properties ◽  
Gas Sensing Properties ◽  
Sf6 Decomposition

Adsorption and gas-sensing properties of Pt2–GaNNTs for SF6 decomposition products

2020 ◽  
Vol 524 ◽  
pp. 146570 ◽  
Author(s):  
Wenhai Cao ◽  
Yingang Gui ◽  
Tao Chen ◽  
Lingna Xu ◽  
Zhuyu Ding
Keyword(s):  
Gas Sensing ◽  
Decomposition Products ◽  
Sensing Properties ◽  
Gas Sensing Properties ◽  
Sf6 Decomposition

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

Nanomaterials ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 100
Author(s):  
Hongcheng Liu ◽  
Feipeng Wang ◽  
Kelin Hu ◽  
Tao Li ◽  
Yuyang Yan ◽  
...  
Keyword(s):  
Gas Sensor ◽  
Density Functional ◽  
Gas Adsorption ◽  
Dft Method ◽  
Orbital Theory ◽  
Gas Sensitivity ◽  
Decomposition Products ◽  
Mos2 Monolayer ◽  
Characteristic Decomposition ◽  
Sensing Material

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.

nA DFT study on the outstanding hydrogen storage performance of the Ti-decorated MoS2 monolayer

2021 ◽  
pp. 101329
Author(s):  
Shulin Yang ◽  
Xueting Wang ◽  
Gu Lei ◽  
Huoxi Xu ◽  
Zhao Wang ◽  
...  
Keyword(s):  
Hydrogen Storage ◽  
Dft Study ◽  
Storage Performance ◽  
Mos2 Monolayer ◽  
Hydrogen Storage Performance

scholarly journals Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation

2018 ◽  
Vol 8 (10) ◽  
pp. 2010 ◽  
Author(s):  
Yongqian Wu ◽  
Shaojian Song ◽  
Dachang Chen ◽  
Xiaoxing Zhang
Keyword(s):  
Single Molecule ◽  
First Principles ◽  
Density Functional ◽  
Energy Gap ◽  
Adsorption Parameters ◽  
Functional Theory ◽  
Decomposition Products ◽  
Before And After ◽  
Doped Graphene ◽  
Sf6 Decomposition

Based on the first-principles of density functional theory, the SF6 decomposition products including single molecule (SO2F2, SOF2, SO2), double homogenous molecules (2SO2F2, 2SOF2, 2SO2) and double hetero molecules (SO2 and SOF2, SO2 and SO2F2, SOF2 and SO2F2) adsorbed on Pt doped graphene were discussed. The adsorption parameters, electron transfer, electronic properties and energy gap was investigated. The adsorption of SO2, SOF2 and SO2F2 on the surface of Pt-doped graphene was a strong chemisorption process. The intensity of chemical interactions between the molecule and the Pt-graphene for the above three molecules was SO2F2 > SOF2 > SO2. The change of energy gap was also studied and according to the value of energy gap, the conductivity of Pt-graphene before and after adsorbing different gas molecules can be evaluated.

scholarly journals First-Principle Study of Rh-Doped Nitrogen Vacancy Boron Nitride Monolayer for Scavenging and Detecting SF6 Decomposition Products

Polymers ◽  
2021 ◽  
Vol 13 (20) ◽  
pp. 3507
Author(s):  
Zhen Shi ◽  
Sheng-Yuan Xia
Keyword(s):  
Boron Nitride ◽  
Sulfur Hexafluoride ◽  
Nitrogen Vacancy ◽  
First Principle ◽  
Density Of State ◽  
Decomposition Products ◽  
Status Assessment ◽  
Sf6 Decomposition ◽  
Computational Processes ◽  
Potential Use

The scavenging and detection of sulfur hexafluoride (SF6) decomposition products (SO2, H2S, SO2F2, SOF2) critically matters to the stable and safe operation of gas-insulated switchgear (GIS) equipment. In this paper, the Rh-doped nitrogen vacancy boron nitride monolayer (Rh-VNBN) is proposed as a gas scavenger and sensor for the above products. The computational processes are applied to investigate the configurations, adsorption and sensing processes, and electronic properties in the gas/Rh-VNBN systems based on the first-principle calculations. The binding energy (Eb) of the Rh-VNBN reaches −8.437 eV, while the adsorption energy (Ead) and band gap (BG) indicate that Rh-VNBN exhibits outstanding adsorption and sensing capabilities. The density of state (DOS) analysis further explains the mechanisms of adsorption and sensing, demonstrating the potential use of Rh-VNBN in sensors and scavengers of SF6 decomposition products. This study is meaningful as it explores new gas scavengers and sensors of SF6 decomposition products to allow the operational status assessment of GIS equipment.

scholarly journals Development of Gas Sensors for Detecting SF6 Decomposition Products and Locating Faults in GIS

1997 ◽  
Vol 117 (10) ◽  
pp. 526-531 ◽  
Author(s):  
Shigemitsu Okabe ◽  
Takahiro Ohno ◽  
Shiro Yamauchi ◽  
Tadao Minagawa ◽  
Mitsuhito Kamei ◽  
...  
Keyword(s):  
Gas Sensors ◽  
Decomposition Products ◽  
Sf6 Decomposition
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