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

Xu, Lingna; Gui, Yingang; Li, Wenjun; Li, Qiaomei; Chen, Xianping

doi:10.1016/j.jiec.2021.02.030

Cited by 98 publications

(29 citation statements)

References 31 publications

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“…To further improve the sensing behavior of pure nanomaterials, the doping of elements are the most common strategies. − Transition metal elements are commonly applied in surface modification and performance optimization, − and previous research has proved that the sensing properties of materials are improved significantly after substitutional doping with transition metal elements. , For example, substitutional doping of WSe 2 monolayer with transition metal elements (Pd, Ag, Au, Pt) have been studied for its adsorption performance toward CO 2 , NO 2 , and SO 2 . It is found that, compared with pristine WSe 2 monolayer, doped WSe 2 has a great effect on the adsorption of these gas molecules.…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study of Small Molecules Adsorption on Pristine and Transition Metal Doped GeSe Monolayer for Gas Sensing Application

et al. 2022

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By using first-principles calculations, the sensing properties of pristine and transition metal (TM) atoms (Ti, V, and Co) embedded germanium selenide (GeSe) monolayer toward small gas molecules (H2, NH3, CO, O2, SO2, NO, and NO2) were investigated. The adsorption energies, electronic structure, optical properties, and recovery time of the adsorption systems were calculated and analyzed in detail. The results indicate that TM doped GeSe has stronger interaction with gas molecules compared with the pristine GeSe monolayer. Especially for Ti- and V-GeSe monolayer, the absolute value of adsorption energies are up to 2 eV for O2, NO, and NO2. The doping with TM atoms also changes the charge transfer and electronic structures of adsorption systems. Combined with the result of the calculated optical properties and recovery time, it can be concluded that Ti-GeSe monolayer has great potential for NH3 detection, while Co-GeSe monolayer can be very promising SO2 gas sensors.

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Section: Introductionmentioning

confidence: 99%

Theoretical Study of Small Molecules Adsorption on Pristine and Transition Metal Doped GeSe Monolayer for Gas Sensing Application

et al. 2022

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“…Graphene is a single layered material with a unique two-dimensional structure which is made up of sp 2 bonded carbon atoms. It is one of the heavily researched two-dimensional adsorbents along others like molybdenum disulphide and platinium doped Tungsten diselenide [4,5]. Recently, there has been significant research on the development of graphene-based adsorbents to remove heavy metals.…”

Section: Introductionmentioning

confidence: 99%

Isotherm and Kinetic Modeling of Strontium Adsorption on Graphene Oxide

2021

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In this study, graphene oxide (GO) was synthesized using Hummers method. The synthesized GO was characterized using field-emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), Fourier transformed infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and Brunauer–Emmett–Teller (BET) nitrogen adsorption. The analyses confirmed the presence of oxygen functional groups (C=O and C-O-C) on the GO surface. These oxygen functional groups act as active sites in the adsorption Sr (II). The BET analysis revealed the surface area of GO of 232 m2/g with a pore volume of 0.40 cm3/g. The synthesized GO was used as an adsorbent for removing Sr (II) from aqueous solutions. The adsorption equilibrium and kinetic results were consistent with the Langmuir isotherm model and the pseudo-second-order kinetic model. A maximum strontium adsorption capacity of 131.4 mg/g was achieved. The results show that the GO has an excellent adsorption capability for removing Sr (II) from aqueous solutions and potential use in wastewater treatment applications.

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“…In addition, the Grimme method was used for dispersion correction in the optimization of each model. To ensure the accuracy of the calculations, exactly 8 × 8 × 1 k points are used in the geometry optimization and electron distribution calculations [22]. For the frontline molecular orbitals in Dmol 3 , only 1 × 1 × 1 k points are available [1].…”

Section: Methodsmentioning

confidence: 99%

Novel Gas-Sensitive Material for Monitoring the Status of SF6 Gas-Insulated Switches: Gese Monolayer

Qian

Chen

et al. 2022

Chemosensors

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Detecting the decomposition components of SF6 insulating gas is recognized as an effective means to monitor the operating status of the SF6 insulating switch. In this paper, the adsorption characteristics of a new two-dimensional material GeSe for five SF6 decomposition gases (SO2, SOF2, SO2F2, H2S and HF) are reported by first-principles simulation. Through the analysis of the change of energy band structure, density of states distribution, and gas desorption time, it is found that GeSe has the potential as a gas-sensitive material for the selective detection of SO2F2, and the computational work in this paper provides theoretical guidance for the development of new gas-sensitive sensors applied in monitoring SF6 insulated switches.

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

Cited by 98 publications

References 31 publications

Theoretical Study of Small Molecules Adsorption on Pristine and Transition Metal Doped GeSe Monolayer for Gas Sensing Application

Theoretical Study of Small Molecules Adsorption on Pristine and Transition Metal Doped GeSe Monolayer for Gas Sensing Application

Isotherm and Kinetic Modeling of Strontium Adsorption on Graphene Oxide

Novel Gas-Sensitive Material for Monitoring the Status of SF6 Gas-Insulated Switches: Gese Monolayer

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