Magnon sensing of NO, NO${}_2$ and NH${}_3$ gas capture on CrSBr monolayer

Abstract

Air pollution and greenhouse emissions are a significant problem across various sectors, urging the need for advanced technologies to detect and capture harmful gases. In recent years, two-dimensional (2D) materials have attracted an increasing attention due to their large surface-to-volume ratio and reactivity. Herein, we investigate the potential of single-layer CrSBr for gas sensing and capturing by means of first-principles calculations. We explore the adsorption behaviour of different pollutant gases (H${}_2$S, NH${}_3$, NO, NO${}_2$, CO and CO${}_2$) on this 2D ferromagnet and the impact of intrinsic defects on its magnetic properties. Interestingly, we find that Br vacancies enhance the adsorption of NH${}_3$, NO and NO${}_2$ and induces a selective frequency shift on the magnon dispersion. This work motivates the creation of novel magnonic gas sensing devices based on 2D van der Waals magnetic materials.

13 pages, 5 figures, 1 table

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