Proposals for gas-detection improvement of the FeMPc monolayer towards ethylene and formaldehyde by using bimetallic synergy

Ma, Yingying; Xiong, Huihui; Zhang, Jianbo

doi:10.1039/d3cp05325c

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp05325c

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Proposals for gas-detection improvement of the FeMPc monolayer towards ethylene and formaldehyde by using bimetallic synergy

Yingying Ma,

Huihui Xiong,

Jianbo Zhang

Abstract: Development and fabrication of a novel gas sensor with superb performance is of great significance to realize the real-time monitoring of ethylene (C2H4) and formaldehyde (H2CO) released from industrial manufacture....

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Cited by 3 publications

References 76 publications

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Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field

Li,

Guo,

Hou

et al. 2024

Results in Physics

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Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field

Li,

Guo,

Hou

et al. 2024

Results in Physics

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Atomic-level insights into sensing performance of toxic gases on the InSe monolayer decorated with Pd and Pt under humid environment

Qiu,

Xu,

et al. 2024

Sensors and Actuators A: Physical

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Adsorption and Sensing Properties of Ni-Modified InSe Monolayer Towards Toxic Gases: A DFT Study

Dong,

Qiu,

Huang

et al. 2024

Chemosensors

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The emission of toxic gases from industrial production has intensified issues related to atmospheric pollution and human health. Consequently, the effective real-time monitoring and removal of these harmful gases have emerged as significant challenges. In this work, the density functional theory (DFT) method was utilized to examine the adsorption behaviors and electronic properties of the Ni-decorated InSe (Ni-InSe) monolayer when interacting with twelve gases (CO, NO, NO2, NH3, SO2, H2S, H2O, CO2, CH4, H2, O2, and N2). A comparative assessment of adsorption strength and sensing properties was performed through analyses of the electronic structure, work function, and recovery time. The results show that Ni doping enhances the electrical conductivity of the InSe monolayer and improves the adsorption capabilities for six toxic gases (CO, NO, NO2, NH3, SO2, and H2S). Furthermore, the adsorption of these gases on the Ni-InSe surface is characterized as chemisorption, as indicated by the analysis of the adsorption energy, density of states, and charge density difference. Additionally, the adsorption of CO, NO, NO2, and SO2 results in significant alterations to the bandgap of Ni-InSe, with changes of 18.65%, 11.37%, 10.62%, and −31.77%, respectively, underscoring its exceptional sensitivity. Moreover, the Ni-InSe monolayer exhibits a moderate recovery time of 3.24 s at 298 K for the SO2. Consequently, the Ni-InSe is regarded as a promising gas sensor for detecting SO2 at room temperature. This research establishes a foundation for the development of an Ni-InSe-based gas sensor for detecting and mitigating harmful gas emissions.

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Proposals for gas-detection improvement of the FeMPc monolayer towards ethylene and formaldehyde by using bimetallic synergy

Abstract: Development and fabrication of a novel gas sensor with superb performance is of great significance to realize the real-time monitoring of ethylene (C2H4) and formaldehyde (H2CO) released from industrial manufacture....

Cited by 3 publications

References 76 publications

Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field

Improvement of gas-sensing performance of TO8C monolayers as high-efficient room-temperature NO and NO2 gas sensors induced by electric field

Atomic-level insights into sensing performance of toxic gases on the InSe monolayer decorated with Pd and Pt under humid environment

Adsorption and Sensing Properties of Ni-Modified InSe Monolayer Towards Toxic Gases: A DFT Study

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