The mechanism of the ``explosive'' NO + CO reaction on Pt(100): experiments and mathematical modeling

摘要: Coadsorbed NO and CO on a Pt(100) surface react upon heating to form extremely narrow TPR product peaks of CO2 N2 at ~ 400 K whose position half-width are almost independent the initial coverages. Video-LEED, TDS work-function measurements were used study adsorption behavior reaction between coadsorbed CO. The LEED experiments demonstrated that higher coverages “explosive” formation is not accompanied by 1 × → hex phase transition which shifted up 50 temperature. This result rules out as possible explanation for narrowness in TPR. A new model proposed based vacant site requirement dissociation autocatalytic increase number sites during responsible ‘surface explosion”. simple vacancy modified taking island into account order reproduce coverage shape peaks. Island occurs NO/CO-induced lifting reconstruction consequence energy NO/CO phase. Based these mechanistic steps mathematical was developed consisting five coupled differential equations solutions experimental results quite accurately.