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Influence of the zeolite support on the catalytic properties of confined metal clusters: a periodic DFT study of O2 dissociation on Cu-n clusters in CHA

Gallego-Rodríguez, Mario; Corma Canós, Avelino; Boronat Zaragoza, Mercedes (The Royal Society of Chemistry, 2022-12-14)

[EN] The catalytic properties of sub-nanometer Cun clusters are modified by interactions with inorganic supports used for their stabilization. In this work, the reactivity towards O2 dissociation of Cu5 and Cu7 clusters ...
Selective Oxidation of Methane into Methanol using Sub-Nanometre Copper Clusters: A Computational Study

Gallego Rodríguez, Mario (Universitat Politècnica de València, 2024-09-02)

[ES] Se investigó la reacción de metano a metanol (MTM) en zeolitas y zeotipos utilizando clústeres subnanométricos de cobre soportados usando como oxidante O2 y sin la intervención de moléculas de agua en todo momento. Para ...
Sub-nanometer Copper Clusters as Alternative Catalysts for the Selective Oxidation of Methane to Methanol with Molecular O2

Gallego-Rodríguez, Mario; Corma Canós, Avelino; Boronat Zaragoza, Mercedes (American Chemical Society, 2022-07-21)

[EN] The partial oxidation of methane to methanol with molecular O2 at mild reaction conditions is a challenging process, which is efficiently catalyzed in nature by enzymes. As an alternative to the extensively studied ...

Mostrando ítems 1-3 de 3