Thermal degradation of greenhouse gas SF at realistic temperatures: Insights from atomic-scale CVHD simulations.

Sulfur hexafluoride (SF), recognized as a potent greenhouse gas with significant contributions to climate change, presents challenges in understanding its degradation processes. Molecular dynamics simulations are valuable tools for understanding modes of decomposition while the traditional approaches face limitations in time scale and require unrealistically high temperatures. The collective variable-driven hyperdynamics (CVHD) approach has been introduced to directly depict the pyrolysis process for SF gas at practical application temperatures, as low as 1600 K for the first time.

Density functional theory studies of TiCTMXene nanosheets decorated with Au for sensing SF/Nnitrogen-containing decomposition gases.

SF/Nmixture is an alternative gas of SF, which is already used in electrical equipment. When a malfunction occurs , SF/Nwill decompose and further react with trace water and oxygen to produce nitrogen-containing gases such as NO, NO, NO and NF. It is necessary to monitor these gases to ensure the safe operation of the equipment.