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

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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1021/ic1000073

Cite this

@article{ffdcd4b9ea83480483e2632e2865e6fd,

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",

year = "2010",

doi = "10.1021/ic1000073",

language = "English",

pages = "3866--3880",

journal = "Inorganic Chemistry",

issn = "0020-1669",

publisher = "American Chemical Society",

number = "49",

}

TY - JOUR

T1 - 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

AU - Rosa, A.

AU - Ricciardi, G.

AU - Baerends, E.J.

PY - 2010

Y1 - 2010

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

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

U2 - 10.1021/ic1000073

DO - 10.1021/ic1000073

M3 - Article

SP - 3866

EP - 3880

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 49

ER -

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

UN SDGs

Access to Document

Fingerprint

Cite this