Abstract
Phosphorene and its isoelectronic counterparts, such as GeS, GeSe, SnS and SnSe monolayers, show great potential in electrical and sensing applications. Here, we study the SO2 sensing properties of phosphorene and its isoelectronic counterparts by first-principles calculations. Results predict that the SO2 molecule as electron acceptor holds high adsorption strength with the five monolayer substrates, especially for SnS and SnSe monolayers. Moreover, the electronic properties of the five substrates can be modified by the SO2 molecule, together with distinct charge transfer, rendering them promising for application asa high-performance gas sensor.
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