Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene
Journal article, 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-.

Author

Valentina Cantatore

Chalmers, Chemistry and Chemical Engineering, Energy and Material, Environmental Inorganic Chemistry

Itai Panas

Chalmers, Chemistry and Chemical Engineering, Energy and Material, Environmental Inorganic Chemistry

Journal of Chemical Physics

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

Vol. 144 15 151102

Subject Categories

Chemical Engineering

DOI

10.1063/1.4947216

More information

Created

10/8/2017