2D‐SnP 3 as Promising Candidate for NO Sensor with High Sensitivity and Selectivity at Room Temperature: A First‐Principles Investigation

Ultrasensitive gas sensors have been fabricated depending on novel 2D materials. The adsorption behavior of diatomic molecules (H 2 , HF, N 2 , CO, O 2 , and NO) on the 2D‐SnP 3 monolayer is investigated by utilizing first‐principle calculations for seeking the applications of sensing and detecting...

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Bibliographic Details
Published in:physica status solidi (b) 2023-10, Vol.260 (10)
Main Authors: Sara, Ahmed A., Cai, Xinyong, Li, Xiumei, Wang, Hongyan
Format: Article
Language:English
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Summary:Ultrasensitive gas sensors have been fabricated depending on novel 2D materials. The adsorption behavior of diatomic molecules (H 2 , HF, N 2 , CO, O 2 , and NO) on the 2D‐SnP 3 monolayer is investigated by utilizing first‐principle calculations for seeking the applications of sensing and detecting gases. H 2 molecule displays weak adsorption effects on the SnP 3 monolayer, while N 2 , CO, HF, and O 2 show a moderate adsorption effect. NO molecule tends to chemisorb, resulting in a significant change transition for the electrical conductivity of the SnP 3 monolayer. The calculation results of adsorption energies, charge transfers, and work function indicate that the SnP 3 monolayer can be a promising candidate as a room‐temperature NO gas sensing 2D material due to its high selectivity, conspicuous sensitivity, and short recovery time. This study can guide the feasibility of using SnP 3 monolayer as a NO gas sensor in further experimental applications.
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.202300235