Abstract
Reported here is a first-principle study of the adsorption of four SF6 decomposition products on pristine arsenene and arsenene with Stone-Wales defects (SW). The results revealed that pristine arsenene exhibited high sensitivity and selectivity to SO2, and Stone-Wales defects enhanced the SO2-sensing performance. The presence of ambient O2, H2O, and SF6 only slightly affected the adsorption on both pristine and SW arsenene. We also investigated the effect of biaxial strain and an external electric field on the SO2 detection of SW arsenene. The SO2 adsorption strength on SW arsenene was drastically enhanced or weakened, depending on the direction of the electric field, which is desirable for realizing the ultra-sensitive adsorption and desorption of SO2.
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