title: Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene.
abstract: We use density functional theory to describe a novel way for metal free catalytic reduction of nitric oxide NO utilizing borondopedgraphene. The present study is based on the observation that borondopedgraphene and O-N=N-O(-) act as Lewis acid-base pair allowing the graphene surface to act as a catalyst. The process implies electron assisted N=N bond formation prior to N-O dissociation. Two N2 + O2 product channels, one of which favoring N2O formation, are envisaged as outcome of the catalytic process. Besides, we show also that the N2 + O2formation pathways are contrasted by a side reaction that brings to N3O3 (-)formation and decomposition into N2O + NO2 (-).
authors.affiliation: Department of Chemistry and Chemical Engineering, Energy & Materials, Chalmers University of Technology, Gothenburg, Sweden.
authors.forename: Valentina
authors.initials: V
authors.lastname: Cantatore
authors.affiliation: Department of Chemistry and Chemical Engineering, Energy & Materials, Chalmers University of Technology, Gothenburg, Sweden.
authors.forename: Itai
authors.initials: I
authors.lastname: Panas