AI Article Synopsis
- This study focuses on improving gas sensing materials to tackle major environmental issues by examining monolayer As, Sb, and Bi for their gas detection capabilities.
- First-principles calculations show that monolayer Bi has the best performance, with effective adsorption distances and energies for NO and NO gases, making it the top candidate for gas detection.
- Monolayer As and Sb also strongly interact with gas molecules and may have potential as catalysts due to changes in their work function after gas adsorption.
Article Abstract
To address the most significant environmental challenges, the quest for high-performance gas sensing materials is crucial. Among numerous two-dimensional materials, this study investigates the gas-sensitive capabilities of monolayer As, Sb, and Bi materials. To compare the gas detection abilities of these three materials, we employ first-principles calculations to comprehensively study the adsorption behavior of NO and NO gas molecules on the material surfaces. The results indicate that monolayer Bi material exhibits reasonable adsorption distances, substantial adsorption energies, and significant charge transfer for both NO and NO gases. Therefore, among the materials studied, it demonstrates the best gas detection capability. Furthermore, monolayer As and Sb materials exhibit remarkably high capacities for adsorbing NO and NO gas molecules, firmly interacting with the gas molecules. Gas adsorption induces changes in the material's work function, suggesting the potential application of these two materials as catalysts.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10935149 | PMC |
| http://dx.doi.org/10.3390/ma17051024 | DOI Listing |
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