First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts-Reference-Cited by-同舟云学术

First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts

Published:2023 Issue:24 Volume:13 Page:6999-7010
ISSN:2044-4753
Container-title:Catalysis Science & Technology
language:en
Short-container-title:Catal. Sci. Technol.

Author:

Hong Sungil¹^ORCID,Kauppinen Minttu M.²^ORCID,Miu Evan V.¹^ORCID,Mpourmpakis Giannis¹^ORCID,Grönbeck Henrik²

Affiliation:

1. Department of Chemical & Petroleum Engineering, University of Pittsburgh, Pittsburgh, Pennsylvania 15261, USA

2. Department of Physics and Competence Centre for Catalysis, Chalmers University of Technology, SE-412 96 Göteborg, Sweden

Abstract

Detailed microkinetic modeling reveals complex mechanisms of room-temperature methanol synthesis from methane on FeN4/GN catalyst. Key factors for selectivity control are identified, providing guidelines for the design of catalysts.

Funder

National Science Foundation

Knut och Alice Wallenbergs Stiftelse

Vetenskapsrådet

Energimyndigheten

Center for Research Computing, University of Pittsburgh

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CY/D3CY01335A

Reference65 articles.

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