Nanoparticles anchored strategy to develop 2D MoS2 and MoSe2 based room temperature chemiresistive gas sensors

Coordination Chemistry Reviews, Год журнала: 2024, Номер 503, С. 215657 - 215657

Опубликована: Янв. 9, 2024

Язык: Английский

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Promoting sensitivity and selectivity of SF6 gas sensor based on metal (Rh, Pd, Ag)-doped monolayer GaTe: A DFT study

Chemical Physics Letters, Год журнала: 2024, Номер 840, С. 141126 - 141126

Опубликована: Фев. 15, 2024

Язык: Английский

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Adsorption of SF6 decomposition gases (H2S, SO2 and SOF2) on TM (Pd and Pt) modified monolayer ZrS2: A DFT study

Computational and Theoretical Chemistry, Год журнала: 2024, Номер 1236, С. 114586 - 114586

Опубликована: Апрель 1, 2024

Язык: Английский

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Toward high selectivity of sensor arrays: Enhanced adsorption interaction and selectivity of gas detection (N2, O2, NO, CO, CO2, NO2, SO2, AlH3, NH3, and PH3) on transition metal dichalcogenides (MoS2, MoSe2, and MoTe2)

Acta Materialia, Год журнала: 2024, Номер 274, С. 120016 - 120016

Опубликована: Май 16, 2024

Resistive gas sensors are essential for monitoring air quality, ensuring industrial safety, and controlling automotive emissions. However, conventional materials used sensing layers often suffer from poor selectivity require elevated operating temperatures, limiting their effectiveness. This study introduces a novel approach to address these challenges by utilizing the intrinsic physicochemical properties of Mo-bearing transition-metal dichalcogenides (TMDs). The findings reveal that variable charge availability on TMD surfaces leads highly selective adsorption enhancements, resulting in significant differences responses various molecules, even at room temperature. results an exceptional relative sensitivity monolayers, which case combustion products exceeds what is feasible under same conditions such as ZnO TiO2 three orders magnitude. Such unprecedented variation distinct profiles. enables effective cross-referencing responses, offering benefits sensor arrays. Consequently, relatively simple setups, TMD-based devices have potential prevent false-positive signals enable determination composition mixtures, which, if utilized, could revolutionize field with innovative lab-on-a-chip solutions.

Язык: Английский

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Density Functional Theory Study of Adsorption of Dissolved Gas in Transformer Oil on a Metal (Ag, Pd, and Pt)-Doped NbSe₂ Monolayer

ACS Applied Nano Materials, Год журнала: 2023, Номер 6(7), С. 5517 - 5526

Опубликована: Март 23, 2023

Dissolved gas detection is very important for an oil-immersed transformer fault. We examined the adsorption characteristics and sensitivity processes of monolayer NbSe2 doped with Ag, Pd, Pt on five typical gases (H2, CO, CO2, CH4, C2H2) in using first-principles calculations. While Pd–NbSe2 system only has great desorption properties H2 at high temperature, Ag/Pt–NbSe2 outstanding possessions ambient temperature. Therefore, micro-nanomaterials prepared by Ag/Pd/Pt–NbSe2 are expected to be used as sensors detecting H2. The systems can C2H2 temperature temperatures, but effect not excellent. Micro-nanomaterials Pd/Pt–NbSe2 have excellent performance CH4 CO2 candidates sensors. This paper systematically studies potential application a metal-doped oil dissolution provides theoretical guidance detection. It theoretically proven that scheme dissolved oil.

Язык: Английский

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A DFT study of H2S adsorption and sensing on Ti, V, Cr and Sc doped graphene surfaces

Structural Chemistry, Год журнала: 2024, Номер 35(3), С. 759 - 775

Опубликована: Янв. 3, 2024

Язык: Английский

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Cr3-doped GaSe monolayer as an innovative sensor and scavenger for Cl2, NO, and SO2: A DFT study

Journal of Materials Research and Technology, Год журнала: 2022, Номер 19, С. 4463 - 4472

Опубликована: Июль 1, 2022

Язык: Английский

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Mg12O12 and Be12O12 Nanocages as Sorbents and Sensors for H2S and SO2 Gases: A Theoretical Approach

Nanomaterials, Год журнала: 2022, Номер 12(10), С. 1757 - 1757

Опубликована: Май 21, 2022

Theoretical calculations based on the Density Functional Theory (DFT) have been performed to investigate interaction of H2S as well SO2 gaseous molecules at surfaces Be12O12 and Mg12O12 nano-cages. The results show that a nano-cage is better sorbent than for considered gases. Moreover, ability gas be adsorbed higher gas. HOMO–LUMO gap (Eg) more sensitive adsorption, while Eg value reveals sensitivity adsorption. molecular dynamic molecule cannot retained surface within 300–700 K 700 K, can nano-cages up K. thermodynamic indicate reactions between with are exothermic. Our suggest we use sorbents sensors

Язык: Английский

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Enhanced adsorption and sensitivity for SF6 decomposition gas detection on penta PdSe2 monolayer: A Density Functional Theory investigation with van der Waals correction

Materials Today Communications, Год журнала: 2023, Номер 37, С. 107019 - 107019

Опубликована: Сен. 2, 2023

Язык: Английский

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A first principles study of RbSnCl₃ perovskite toward NH₃, SO₂, and NO gas sensing

Nanoscale Advances, Год журнала: 2024, Номер 6(4), С. 1218 - 1226

Опубликована: Янв. 1, 2024

The sensitivity of a RbSnCl 3 perovskite 2D layer toward NH , SO 2 and NO toxic gases has been studied via DFT analysis.

Язык: Английский

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