Exploring Janus MoSSe monolayer as a workable media for SOF6 decompositions sensing based on DFT calculations

Yang, Xiaoyong; Hussain, Tanveer; Wärnå, John; Xu, Zhitong; Ahuja, Rajeev

doi:10.1016/j.commatsci.2020.109976

Cited by 26 publications

(10 citation statements)

References 44 publications

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“…From this point of view, Janus monolayer has excellent potential candidates to realize superior sensitivity without gate bias. Some of the work has been reported on various gas molecules detection for gas sensing devices [ 35 , 43 , 44 , 45 , 46 , 47 , 48 , 49 ]. Still, there is a need for a better understanding of various gas sensing properties of the Janus monolayer.…”

Section: Introductionmentioning

confidence: 99%

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

Singh

Ahuja

2020

Nanomaterials

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Recently, a new family of the Janus NbSeTe monolayer has exciting development prospects for two-dimensional (2D) asymmetric layered materials that demonstrate outstanding properties for high-performance nanoelectronics and optoelectronics applications. Motivated by the fascinating properties of the Janus monolayer, we have studied the gas sensing properties of the Janus NbSeTe monolayer for CO, CO2, NO, NO2, H2S, and SO2 gas molecules using first-principles calculations that will have eminent application in the field of personal security, protection of the environment, and various other industries. We have calculated the adsorption energies and sensing height from the Janus NbSeTe monolayer surface to the gas molecules to detect the binding strength for these considered toxic gases. In addition, considerable charge transfer between Janus monolayer and gas molecules were calculated to confirm the detection of toxic gases. Due to the presence of asymmetric structures of the Janus NbSeTe monolayer, the projected density of states, charge transfer, binding strength, and transport properties displayed distinct behavior when these toxic gases absorbed at Se- and Te-sites of the Janus monolayer. Based on the ultra-low recovery time in the order of μs for NO and NO2 and ps for CO, CO2, H2S, and SO2 gas molecules in the visible region at room temperature suggest that the Janus monolayer as a better candidate for reusable sensors for gas sensing materials. From the transport properties, it can be observed that there is a significant variation of I−V characteristics and sensitivity of the Janus NbSeTe monolayer before and after adsorbing gas molecules demonstrates the feasibility of NbSeTe material that makes it an ideal material for a high-sensitivity gas sensor.

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Section: Introductionmentioning

confidence: 99%

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

Singh

Ahuja

2020

Nanomaterials

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“…18,19 The interesting attributes of 2D TMDCs are their finite band gap and modulated optical properties, specific surface area, equitable transport carrier ability, and high current ON/OFF switching ratio (∼10 8 ) with low standby power consumption at room temperature, which make them promising materials for vibrant sensing and FET applications. 20–26…”

Section: Introductionmentioning

confidence: 99%

Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayer

Babariya

Raval

Gupta

et al. 2022

Phys. Chem. Chem. Phys.

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“…For example, using rst-principle calculations, Janus MoSSe monolayers have been studied in the sensing NO 2 , NH 3 , SOF 6 decompositions species, adulterant compounds, and volatile organic compounds (VOCs). [22][23][24][25][26][27][28] In these reports, the sensing properties depend on electronic interactions and adsorption strength between the target gaseous molecules and the sensor materials. The enormous adsorption energy will lead to stronger sensitivity.…”

Section: Introductionmentioning

confidence: 99%

Effects of external electric field on the sensing property of volatile organic compounds over Janus MoSSe monolayer: a first-principles investigation

2021

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Exploring Janus MoSSe monolayer as a workable media for SOF6 decompositions sensing based on DFT calculations

Cited by 26 publications

References 44 publications

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

Highly Sensitive Gas Sensing Material for Environmentally Toxic Gases Based on Janus NbSeTe Monolayer

Selective and sensitive toxic gas-sensing mechanism in a 2D Janus MoSSe monolayer

Effects of external electric field on the sensing property of volatile organic compounds over Janus MoSSe monolayer: a first-principles investigation

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