The present study examines the possible applications of Be₁₂O₁₂ fullerene to detect SO₂, CS₂, H₂S, and COS through density functional theory (DFT). These gases had an interaction stability order of SO₂ > H₂S > COS > CS₂. The adsorption energy and electric dipole moment of the molecules seem to be correlated. It is believed that Be₁₂O₁₂ fullerene is a Ф-type electronic sensor for the detection of CS₂ and SO₂. The results revealed that SO₂ and CS₂, in the presence of H₂S, could serve as Be₁₂O₁₂ fullerenes. Moreover, COS showed the ability to be employed as a electronic sensor. It is also capable of serving as an electronic sensor selectively operating between CS₂ and SO₂ to change variable electrical conductivity. However, it cannot be assumed to be Ф-type sensor of COS and H₂S. The Be₁₂O₁₂ fullerene enjoys a rapid recovery (0.21–0.60 μs) in SO₂ and CS₂ desorption from the surface at ambient temperature. Therefore, it can be concluded to have the capability of operating in moist media.

本研究通过密度泛函理论 (DFT)检验了 Be ₁₂ O ₁₂富勒烯在检测 SO ₂、CS ₂、H ₂ S 和 COS 方面的可能应用。这些气体的相互作用稳定性顺序为 SO ₂  > H ₂ S > COS > CS ₂。分子的吸附能和电偶极矩似乎是相关的。Be ₁₂ O ₁₂富勒烯被认为是一种用于检测CS ₂和SO ₂的Ф型电子传感器。结果表明，SO ₂和CS ₂，在H存在下₂ S，可以作为Be ₁₂ O ₁₂富勒烯。此外，COS 显示出可用作电子传感器的能力。它还能够用作电子传感器，选择性地在 CS ₂和 SO ₂之间工作以改变可变的电导率。然而，不能假设它是 COS 和 H ₂ S 的Ф 型传感器。Be ₁₂ O ₁₂富勒烯在环境温度下在 SO ₂和 CS ₂解吸中具有快速恢复（0.21–0.60 μs）。因此，可以断定具有在潮湿介质中操作的能力。