ArticleRSC advances2022
Adsorption of gas molecules on buckled GaAs monolayer: a first-principles study.
Article in RSC advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
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- Electronic structure engineering of phosphorene through transition metal functionalization for toxic gas detection.RSC advances · 2026Article
- Tunable gas sensing features of Janus InRSC advances · 2026Article
- Tailoring Janus InRSC advances · 2025Article
- NORSC advances · 2025Article
- Monolayer CuBr-based gas sensor to detect habitat and industry-relevant molecules with high sensitivity and selectivity: a first-principles study.RSC advances · 2025Article
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Authors and funding
3 authors.
Funding
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Abstract
The design of sensitive and selective gas sensors can be significantly simplified if materials that are intrinsically selective to target gas molecules can be identified. In recent years, monolayers consisting of group III-V elements have been identified as promising gas sensing materials. In this article, we investigate gas adsorption properties of buckled GaAs monolayer using first-principles calculations within the framework of density functional theory. We examine the adsorption energy, adsorption distance, charge transfer, and electron density difference to study the strength and nature of adsorption. We calculate the change in band structure, work function, conductivity, density of states, and optical reflectivity for analyzing its prospect as work function-based, chemiresistive, optical, and magnetic gas sensor applications. In this regard, we considered the adsorption of ten gas molecules, namely NH
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