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Journal article

Methane activation on dual-atom catalysts supported on graphene

By Wu, Chongchong1; Yang, Weijie2; Wang, Jacky Jingyi1; Li, Hao3,4; Gates, Ian D.1

From

University of Calgary1

North China Electric Power University2

Department of Physics, Technical University of Denmark3

Catalysis Theory Center, Department of Physics, Technical University of Denmark4

Dual-atom Fe catalysts supported by three nitrogen atom doped graphene (Fe-TM/GP, where TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) are explored for methane adsorption and activation. The addition of the second metal significantly tunes the properties of the catalysts. The main factor influencing methane adsorption is electron transfer.

The second metal promotes methane adsorption by altering the electronic properties such as the band structure and charge transfer. A volcano-shaped relationship is found between the absolute value of adsorption energy and energy barrier at the heteroatom Fe-TM/GP. Fe-Ni/GP has the lowest energy barrier.

Heteroatom Fe-TM/GP has a lower energy barrier than Fe-Fe/GP.

Language: English
Publisher: The Royal Society of Chemistry
Year: 2021
Pages: 12127-12130
ISSN: 1364548x and 13597345
Types: Journal article
DOI: 10.1039/d1cc05701d
ORCIDs: 0000-0002-0232-1129

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