{"title":"Atomic-level insights into sensing performance of toxic gases on the InSe monolayer decorated with Pd and Pt under humid environment","authors":"","doi":"10.1016/j.sna.2024.115846","DOIUrl":null,"url":null,"abstract":"<div><p>The timely detection and monitoring of toxic gases are crucial for preserving the ecological environment and preventing their adverse effects on human health. In this study, we investigate the adsorption characteristics and sensitivity performance of Pd- and Pt-decorated InSe monolayers, referred to as Pd-InSe and Pt-InSe, towards five toxic gases (CO, NO, NH<sub>3</sub>, H<sub>2</sub>S, and SO<sub>2</sub>) using first-principle calculations. The results show that the doping of Pd and Pt atoms significantly improves the conductivity, adsorption capabilities, and sensing properties of InSe monolayer to these toxic gases. Both Pd-InSe and Pt-InSe monolayers exhibit chemical adsorption of CO, NO, NH<sub>3</sub>, and H<sub>2</sub>S, with adsorption energies ranging from –0.56 eV to –1.04 eV, leading to noticeable changes in the bandgap (8.84 % ∼ 31.03 %). Furthermore, the CO/Pd-InSe and H<sub>2</sub>S/Pt-InSe systems demonstrate excellent sensitivity, with high sensing response values of 1.54×10<sup>4</sup> and 66.20, respectively, and their sensitivity remains unaffected under humid environments. Importantly, Pt-InSe exhibits a fast recovery time of 0.05 s at 298 K, making it highly promising for the recyclable detection of H<sub>2</sub>S at room temperature. In contrast, Pd-InSe can be utilized as a reusable gas sensor for CO at 448 K with a good recovery time of 0.5 s. This work can provides theoretical guidance for the design and fabrication of InSe-based gas sensors for the detection of toxic gases.</p></div>","PeriodicalId":21689,"journal":{"name":"Sensors and Actuators A-physical","volume":null,"pages":null},"PeriodicalIF":4.1000,"publicationDate":"2024-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Sensors and Actuators A-physical","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0924424724008409","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"ENGINEERING, ELECTRICAL & ELECTRONIC","Score":null,"Total":0}
引用次数: 0
Abstract
The timely detection and monitoring of toxic gases are crucial for preserving the ecological environment and preventing their adverse effects on human health. In this study, we investigate the adsorption characteristics and sensitivity performance of Pd- and Pt-decorated InSe monolayers, referred to as Pd-InSe and Pt-InSe, towards five toxic gases (CO, NO, NH3, H2S, and SO2) using first-principle calculations. The results show that the doping of Pd and Pt atoms significantly improves the conductivity, adsorption capabilities, and sensing properties of InSe monolayer to these toxic gases. Both Pd-InSe and Pt-InSe monolayers exhibit chemical adsorption of CO, NO, NH3, and H2S, with adsorption energies ranging from –0.56 eV to –1.04 eV, leading to noticeable changes in the bandgap (8.84 % ∼ 31.03 %). Furthermore, the CO/Pd-InSe and H2S/Pt-InSe systems demonstrate excellent sensitivity, with high sensing response values of 1.54×104 and 66.20, respectively, and their sensitivity remains unaffected under humid environments. Importantly, Pt-InSe exhibits a fast recovery time of 0.05 s at 298 K, making it highly promising for the recyclable detection of H2S at room temperature. In contrast, Pd-InSe can be utilized as a reusable gas sensor for CO at 448 K with a good recovery time of 0.5 s. This work can provides theoretical guidance for the design and fabrication of InSe-based gas sensors for the detection of toxic gases.
期刊介绍:
Sensors and Actuators A: Physical brings together multidisciplinary interests in one journal entirely devoted to disseminating information on all aspects of research and development of solid-state devices for transducing physical signals. Sensors and Actuators A: Physical regularly publishes original papers, letters to the Editors and from time to time invited review articles within the following device areas:
• Fundamentals and Physics, such as: classification of effects, physical effects, measurement theory, modelling of sensors, measurement standards, measurement errors, units and constants, time and frequency measurement. Modeling papers should bring new modeling techniques to the field and be supported by experimental results.
• Materials and their Processing, such as: piezoelectric materials, polymers, metal oxides, III-V and II-VI semiconductors, thick and thin films, optical glass fibres, amorphous, polycrystalline and monocrystalline silicon.
• Optoelectronic sensors, such as: photovoltaic diodes, photoconductors, photodiodes, phototransistors, positron-sensitive photodetectors, optoisolators, photodiode arrays, charge-coupled devices, light-emitting diodes, injection lasers and liquid-crystal displays.
• Mechanical sensors, such as: metallic, thin-film and semiconductor strain gauges, diffused silicon pressure sensors, silicon accelerometers, solid-state displacement transducers, piezo junction devices, piezoelectric field-effect transducers (PiFETs), tunnel-diode strain sensors, surface acoustic wave devices, silicon micromechanical switches, solid-state flow meters and electronic flow controllers.
Etc...