| 초록 |
As worldwide concerns on the issue of climate changes and air pollutions get increased, the regulations for pollutant emission have become sticker. In case of vehicle, the need for NOx reduction has been increased due to tightened regulations on automotive emission. In general, three-way catalyst (TWC) and selective catalytic reduction (SCR) catalyst are installed with gasoline and diesel engines, respectively, to purify automotive exhaust gas. Thus, the reports about NOx reduction have focused on those catalysts. Several researches have suggested various NOx reduction mechanisms through both density functional theory (DFT) calculation and experimental results, however, there has not yet been clearly elucidated. Therefore, we conducted DFT calculation to figure out the mechanism and reaction energetics of NOx reduction on Pt, Pd, and Rh, which are most commonly used in TWC catalysts. As a result, we tried to compared the NOx reduction activity and selectivity of those catalysts by kinetic modeling. |
