Theoretical investigation of Ag and Au modified CSiN monolayer as a potential gas sensor for air decomposition components detection

Yang, Minjia; Xiong, Huihui; Ma, Yingying; Yang, Liang

doi:10.1016/j.molliq.2024.125648

Journal of Molecular Liquids

2024

DOI: 10.1016/j.molliq.2024.125648

|View full text |Cite

Theoretical investigation of Ag and Au modified CSiN monolayer as a potential gas sensor for air decomposition components detection

Minjia Yang,

Huihui Xiong,

Yingying Ma

et al.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article3

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

References 70 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

First-principles study of WS2 monolayer decorated with noble metals (Pt, Rh, Ir) as the promising candidates to detect nitrogenous poisonous gases

Xiong,

Zhang,

et al. 2024

Surfaces and Interfaces

View full text Add to dashboard Cite

First-principles study of WS2 monolayer decorated with noble metals (Pt, Rh, Ir) as the promising candidates to detect nitrogenous poisonous gases

Xiong,

Zhang,

et al. 2024

Surfaces and Interfaces

View full text Add to dashboard Cite

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

Dong,

Qiu,

Huang

et al. 2024

Chemosensors

View full text Add to dashboard Cite

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.

show abstract

Bioinspired Fern-like Fe2O3 Functionalized with Pd/PdO Nanoparticles for High-Performance Acetone Sensing

Liu,

Wang

2024

Molecules

View full text Add to dashboard Cite

The accurate monitoring and detection of acetone vapor are essential for environmental and human safety. Consequently, fern-like Fe2O3 with hierarchical vein-like structures is synthesized via a concise hydrothermal method. Compared with pure fern-like Fe2O3, fern-like Pd/PdO-Fe2O3 shows the best acetone-sensing characteristics, in terms of lower operating temperature (180 °C), better selectivity and excellent long-term stability. More importantly, the response value of the Pd/PdO-Fe2O3 sensor to 100 ppm acetone reaches as high as 73, which is 55% higher than that of pristine fern-like Fe2O3. This enhanced sensing performance can be ascribed to the synergistic effect between Pd/PdO and fern-like Fe2O3. On the one hand, Pd/PdO nanoparticles show favorable catalytic activity toward ionized oxygen molecules; meanwhile, the formation of the heterojunction between PdO and fern-like Fe2O3 plays an important role. On the other hand, the hierarchical nature of fern-like Fe2O3 promotes efficient gas diffusion throughout the structure. Based on its advantages, fern-like Pd/PdO-Fe2O3 becomes a satisfactory candidate for acetone gas sensors.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Theoretical investigation of Ag and Au modified CSiN monolayer as a potential gas sensor for air decomposition components detection

Cited by 3 publications

References 70 publications

First-principles study of WS2 monolayer decorated with noble metals (Pt, Rh, Ir) as the promising candidates to detect nitrogenous poisonous gases

First-principles study of WS2 monolayer decorated with noble metals (Pt, Rh, Ir) as the promising candidates to detect nitrogenous poisonous gases

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

Bioinspired Fern-like Fe2O3 Functionalized with Pd/PdO Nanoparticles for High-Performance Acetone Sensing

Contact Info

Product

Resources

About