Methane activation on dual-atom catalysts supported on graphene

Chongchong Wu, Weijie Yang, Jacky Jingyi Wang, Hao Li, Ian D. Gates*

*Corresponding author for this work

Research output: Contribution to journalJournal articlepeer-review

Abstract

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.

Original languageEnglish
JournalChemical Communications
Volume57
Issue number91
Pages (from-to)12127-12130
ISSN1359-7345
DOIs
Publication statusPublished - 2021

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