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Communication: Towards catalytic nitric oxide reduction via oligomerization on boron doped graphene (2016)

Valentina Cantatore and Itai Panas

American Institute of Physics (AIP)

In: Journal of Chemical Physics

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Publication Date: 2016-04-20

Description: 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 N 2 O 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 N 3 O 3 − formation and decomposition into N 2 O + NO 2 − .

Print ISSN: 0021-9606

Electronic ISSN: 1089-7690

Topics: Chemistry and Pharmacology , Physics

Published by American Institute of Physics (AIP)

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