Evaluate the potential utilization of B24N24 fullerene in the recognition of COS, H2S, SO2, and CS2 gases (environmental pollution)

Abstract

We employed density functional theory calculations for evaluating the possible usage of B24N24 fullerene in detecting COS, H2S, CS2, SO2 gases. The interaction stability sequence for the gases under investigation is generally as follows: SO2 > H2S > COS > CS2. Seemingly, there is an association between molecules’ electric dipole moment and absorption energy. B24N24 fullerene as Ф-type sensor for SO2 and CS2 is regarded as an electronic sensor. It is found that CS2 and SO2 can be recognized by B24N24 fullerene at the H2S presence and COS as a Ф-type sensor. Besides, it has the ability of selective operating between SO2 and CS2 as an electronic sensor for changing varying electrical conductivity values when they are present. It is not a function-type or electronic sensor for H2S and COS gases. For desorbing CS2 and SO2 gases from the surface at ambient temperature, The B24N24 fullerene takes advantage of a short recovery time (0.19 s and 0.4 μs). Thus, this fullerene is able to work in a wet environment.