Stability and reactivity of copper oxo-clusters in ZSM-5 zeolite for selective methane oxidation to methanol

[Display omitted] •Cu speciation in ZSM-5 zeolite depends on the conditions of thermochemical activation.•Trinuclear [Cu3O3]2+ cationic clusters are preferentially formed in HZSM-5 upon calcination.•Trinuclear Cu-oxo clusters favor the direct methane to methanol oxidation.•Methane activation by binu...

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Bibliographic Details
Published in:	Journal of catalysis Vol. 338; pp. 305 - 312
Main Authors:	Li, Guanna, Vassilev, Peter, Sanchez-Sanchez, Maricruz, Lercher, Johannes A., Hensen, Emiel J.M., Pidko, Evgeny A.
Format:	Journal Article
Language:	English
Published:	San Diego Elsevier Inc 01.06.2016 Elsevier BV
Subjects:	active sites Catalysts chemical bonding Copper density functional theory DFT homolytic cleavage Methane Methanol micropores Oxidation Radical mechanism Selective oxidation Spin crossing temperature thermodynamics Trinuclear clusters Zeolites ZSM-5 Methane Selective oxidation DFT Radical mechanism ZSM-5 Trinuclear clusters Copper Spin crossing Zeolites Methanol
ISSN:	0021-9517, 1090-2694
Online Access:	Get full text
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