Issue 89, 2016, Issue in Progress

Promotion mechanism of pyridine N-doped carbocatalyst for SO2 oxidation

Abstract

Pyridine N (PyN) doped carbon materials have long been recognized as promising catalysts for SO2 oxidation under mild conditions, but our understanding of what is happening at the atomic level is still limited. Herein, the local structure and promotion mechanism of PyN in carbon materials for the catalytic oxidation of SO2 were investigated on graphene model catalysts by using density functional theory. A type of defect involving three PyN atoms around a single C atom vacancy was found to be active for both the dissociation of O2 and the further oxidation of SO2. It is worth mentioning that both PyN and the adjacent C atoms are primary active sites. Additionally, a switch effect of pyridine N-oxide was identified, which can suppress or enhance the oxidation capacity of surface oxygen species for SO2 oxidation. These results provide a mechanistic explanation for the low temperature catalytic oxidation of SO2 by PyN-doped carbon materials and offer insight for the design of new carbon-based catalysts.

Graphical abstract: Promotion mechanism of pyridine N-doped carbocatalyst for SO2 oxidation

Supplementary files

Article information

Article type
Paper
Submitted
06 Jul 2016
Accepted
26 Aug 2016
First published
29 Aug 2016

RSC Adv., 2016,6, 86316-86323

Promotion mechanism of pyridine N-doped carbocatalyst for SO2 oxidation

J. Li, J. Liu, S. Yin, Y. Liu, J. Li, W. Cen and Y. Chu, RSC Adv., 2016, 6, 86316 DOI: 10.1039/C6RA17349G

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements