Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers

Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers

Methane is a vast hydrocarbon resource around the globe that has the potential to replace petroleum as a raw material and energy source. Therefore, the catalytic conversion of methane into high value-added chemicals is significantly important for the utilization of this hydrocarbon resource. However...

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Main Authors: Haihong Meng, Bing Han, Fengyu Li, Jingxiang Zhao
Format: Article
Language:English
Published: MDPI AG 2020-08-01
Series:Catalysts
Subjects:
non-precious metal catalysts
Fe<sub>2</sub> dimer
C<sub>2</sub>N monolayer
density functional theory
Fe-O-Fe intermediate
methane conversion
Online Access:https://www.mdpi.com/2073-4344/10/9/973
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spelling doaj-ee189384d94748feb3f60824a8476e832020-11-25T03:54:03ZengMDPI AGCatalysts2073-43442020-08-011097397310.3390/catal10090973Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> DimersHaihong Meng0Bing Han1Fengyu Li2Jingxiang Zhao3Physical School of Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaPhysical School of Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaPhysical School of Science and Technology, Inner Mongolia University, Hohhot 010021, ChinaKey Laboratory of Photonic and Electronic Bandgap Materials, College of Chemistry and Chemical Engineering, Ministry of Education, Harbin Normal University, Harbin 150025, ChinaMethane is a vast hydrocarbon resource around the globe that has the potential to replace petroleum as a raw material and energy source. Therefore, the catalytic conversion of methane into high value-added chemicals is significantly important for the utilization of this hydrocarbon resource. However, this is a great challenge due to the high-energy input required to overcome the reaction barrier. Herein, a highly active catalytic conversion process of methane on an iron dimer anchored on a two-dimensional (2D) C<sub>2</sub>N monolayer (Fe<sub>2</sub>@C<sub>2</sub>N) is reported. Density functional theory calculations reveal that the superior properties of Fe<sub>2</sub>@C<sub>2</sub>N can be attributed to the formation of the Fe-O-Fe intermediate with H<sub>2</sub>O<sub>2</sub> as the O-donor molecule, which facilitates the formation of methyl radicals and promotes the conversion of methane. This finding could pave the way toward highly efficient non-precious metal catalysts for methane oxidation reactions.https://www.mdpi.com/2073-4344/10/9/973non-precious metal catalystsFe<sub>2</sub> dimerC<sub>2</sub>N monolayerdensity functional theoryFe-O-Fe intermediatemethane conversion
collection DOAJ
language English
format Article
sources DOAJ
author Haihong Meng
Bing Han
Fengyu Li
Jingxiang Zhao
spellingShingle Haihong Meng
Bing Han
Fengyu Li
Jingxiang Zhao
Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
Catalysts
non-precious metal catalysts
Fe<sub>2</sub> dimer
C<sub>2</sub>N monolayer
density functional theory
Fe-O-Fe intermediate
methane conversion
author_facet Haihong Meng
Bing Han
Fengyu Li
Jingxiang Zhao
author_sort Haihong Meng
title Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
title_short Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
title_full Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
title_fullStr Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
title_full_unstemmed Methane Conversion over C<sub>2</sub>N-Supported Fe<sub>2</sub> Dimers
title_sort methane conversion over c<sub>2</sub>n-supported fe<sub>2</sub> dimers
publisher MDPI AG
series Catalysts
issn 2073-4344
publishDate 2020-08-01
description Methane is a vast hydrocarbon resource around the globe that has the potential to replace petroleum as a raw material and energy source. Therefore, the catalytic conversion of methane into high value-added chemicals is significantly important for the utilization of this hydrocarbon resource. However, this is a great challenge due to the high-energy input required to overcome the reaction barrier. Herein, a highly active catalytic conversion process of methane on an iron dimer anchored on a two-dimensional (2D) C<sub>2</sub>N monolayer (Fe<sub>2</sub>@C<sub>2</sub>N) is reported. Density functional theory calculations reveal that the superior properties of Fe<sub>2</sub>@C<sub>2</sub>N can be attributed to the formation of the Fe-O-Fe intermediate with H<sub>2</sub>O<sub>2</sub> as the O-donor molecule, which facilitates the formation of methyl radicals and promotes the conversion of methane. This finding could pave the way toward highly efficient non-precious metal catalysts for methane oxidation reactions.
topic non-precious metal catalysts
Fe<sub>2</sub> dimer
C<sub>2</sub>N monolayer
density functional theory
Fe-O-Fe intermediate
methane conversion
url https://www.mdpi.com/2073-4344/10/9/973
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AT binghan methaneconversionovercsub2subnsupportedfesub2subdimers
AT fengyuli methaneconversionovercsub2subnsupportedfesub2subdimers
AT jingxiangzhao methaneconversionovercsub2subnsupportedfesub2subdimers
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