Study on the Catalytic Degradation of Strong Greenhouse Gas SF6 Using a Two-Dimensional Metal Organic Framework

With the continuous development of sustainable and renewable energy sources, the catalytic degradation of SF
6
, a strong greenhouse gas, is receiving increasing attention. In this article, we provide a reference for the selection of SF
6
thermal catalysts by simulating the adsorption and decomposition processes of SF
6
on two-dimensional metals with different metal modifications. Based on DFT (density functional theory), simulate energy changes and charge transfer during adsorption and decomposition processes. The absence of band gaps in the energy band structure of Cu-CN, Mo-CN and Tc-CN implies their metallic character, which can be attributed to the effective orbital interaction between the benzene ring and MN
4
. In addition, there is a strong chemisorption between the CN structures of Cr, Mn and Ru and SF
6
with significant bond length changes, charge transfer. The CN structures of these three metals have better potential to catalyze SF
6