Characterization of o-B2N2 monolayer surface for effective sensing and detection of toxic nitrogen oxides

Abstract

Using density functional theory (DFT), researchers examined how the o-B2N2 monolayer interacts with toxic gases such as NO2 and NO. They investigated various aspects of the adsorption system, including its state density, differential charge density, optimal structure, and other features. The analysis revealed that the o-B2N2 monolayer remained stable throughout the adsorption process. The researchers also examined additional properties of the adsorption process, including work function, sensitivity, response time, recovery time, and energy gap to gain a deeper comprehension of adsorption features of NO2 and NO gases. The findings indicate that the o-B2N2 monolayer exhibits a shorter recovery time at higher temperatures, suggesting improved performance. Furthermore, the monolayer demonstrates higher sensitivity and a greater variation in the work function, indicating its superior adsorption capabilities. The findings suggest that the o-B2N2 monolayer has potential with great promise as an adsorbent for toxic gases like NO2 and NO. This has practical implications for applications such as air purification and environmental protection. Our findings demonstrate that the o-B2N2 monolayer serves as an effective gas sensor at room temperature, exhibiting both high sensitivity and selectivity in detecting NO2 and NO gases. Moreover, it can be reused multiple times for gas detection purposes.