aEnvironmental Research Department, Research Institute of Industrial Science & Technology, San 32 Hyoja-dong, Nam-gu, Pohang 790-600, Republic of Korea
This study has explored the potential energy surface on the chemical reaction of CH2OH with NO by using ab initio calculation. We have found the new reaction pathway producing N-hydroxy formamide, which can further decompose to generate isocyanic acid as a reducing agent of hydrocarbons selective catalytic reduction.