Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene
Artikel i vetenskaplig tidskrift, 2016

We use density functional theory to describe a novel way for metal free catalytic reduction of nitric oxide NO utilizing boron doped graphene. The present study is based on the observation that boron doped graphene 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 N-2 + O-2 product channels, one of which favoring N2O formation, are envisaged as outcome of the catalytic process. Besides, we show also that the N-2 + O-2 formation pathways are contrasted by a side reaction that brings to N3O3- formation and decomposition into N2O + NO2-.


Valentina Cantatore

Chalmers, Kemi och kemiteknik, Energi och material

Itai Panas

Chalmers, Kemi och kemiteknik, Energi och material

Journal of Chemical Physics

0021-9606 (ISSN) 1089-7690 (eISSN)

Vol. 144 15 151102





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