Is [FeO]2+ the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite

A. Rosa; G. Ricciardi; E.J. Baerends

doi:10.1021/ic1000073

Is [FeO]2+ the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite

A. Rosa, G. Ricciardi, E.J. Baerends

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Research output: Contribution to Journal › Article › Academic › peer-review

Abstract

Arguments are put forward that the active ∝-oxygen site in the Fe-ZSM-5 catalyst consists of the FeO

Original language	English
Pages (from-to)	3866-3880
Journal	Inorganic Chemistry
Issue number	49
DOIs	https://doi.org/10.1021/ic1000073
Publication status	Published - 2010

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10.1021/ic1000073

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title = "Is [FeO]2+ the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite",

abstract = "Arguments are put forward that the active ∝-oxygen site in the Fe-ZSM-5 catalyst consists of the FeO",

author = "A. Rosa and G. Ricciardi and E.J. Baerends",

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journal = "Inorganic Chemistry",

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AU - Ricciardi, G.

AU - Baerends, E.J.

PY - 2010

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N2 - Arguments are put forward that the active ∝-oxygen site in the Fe-ZSM-5 catalyst consists of the FeO

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DO - 10.1021/ic1000073

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JO - Inorganic Chemistry

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IS - 49

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Is [FeO]2+ the active center also in iron containing zeolites? A density functional theory study of methane hydroxylation catalysis by Fe-ZSM-5 zeolite

Abstract

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