Novel Mechanistic Insights into Methane Activation over Fe and Cu Active Sites in Zeolites: A Comparative DFT Study Using Meta-GGA Functionals
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DOI: 10.1021/acs.jpcc.0c04991
Abstract: Fe- and Cu-exchanged zeolites are known to oxidize methane directly to methanol at low temperature and have been intensively discussed in recent literature studies including theoretical works based... read more here.
Keywords: activation active; insights methane; novel mechanistic; methane ... See more keywords