InP(3) Monolayer as a Promising 2D Sensing Material in SF(6) Insulation Devices

[Image: see text] In this letter, we perform a first-principles study on the adsorption performance of the InP(3) monolayer upon three SF(6) decomposed species, including SO(2), SOF(2), and SO(2)F(2), to investigate its potential as a resistance-type, optical or field-effect transistor gas sensor. Results indicate that the InP(3) monolayer exhibits strong chemisorption upon SO(2) but weak physisorption upon SO(2)F(2). The most admirable adsorption behavior is upon SOF(2), which provides a favorable sensing response (−19.4%) and recovery property (10.4 s) at room temperature as a resistance-type gas sensor. A high response of 180.7% upon SO(2) and a poor one of −1.9% upon SO(2)F(2) are also identified, which reveals the feasibility of the InP(3) monolayer as a resistance-type sensor for SO(2) detection with recycle use via a heating technique to clean the surface. Moreover, the InP(3) monolayer is a promising optical sensor for SO(2) detection due to the obvious changes in adsorption peaks within the range of ultraviolet and is a desirable field-effect transistor sensor for selective and sensitive detection of SO(2) and SOF(2) given the evident changes of Q(T) and E(g) under the applied electric field.