Modeling the roles of rigidity and dopants in single-atom methane-to-methanol catalysts

Doped graphitic single-atom catalysts (SACs) with isolated iron sites have similarities to natural enzymes and molecular biomimetics that can convert methane to methanol via a radical rebound mechanism with high-valent Fe(IV)[double bond, length as m-dash]O intermediates. To understand the relations...

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Bibliographic Details
Main Authors: Jia, Haojun, Nandy, Aditya, Liu, Mingjie, Kulik, Heather J.
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: Royal Society of Chemistry (RSC) 2022
Online Access:https://hdl.handle.net/1721.1/140256.2