Structural stabilisation of (CoO)x clusters in ZSM5 zeolites

A. Jentys; K. Kleestorfer; H. Vinek

doi:10.1007/BF00813740

Structural stabilisation of (CoO)_x clusters in ZSM5 zeolites

A. Jentys
, K. Kleestorfer
, H. Vinek

Technical University of Vienna

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

The structure and stability of (CoO)_x clusters in siliceous ZSM5 (silicalite) and on SiO₂ have been investigated using atomistic simulation techniques. The deconvolution of the energy into distortion and interaction contributions revealed that the improved stability of the supported clusters is due to the energy gained from the cluster-host interaction. (CoO)_x clusters in ZSM5 of between 4 and 6 Co atoms showed an enhanced stability, while clusters larger than 18 Co atoms were sterically limited inside the zeolite lattice.

Original language	English
Pages (from-to)	119-123
Number of pages	5
Journal	Catalysis Letters
Volume	39
Issue number	1-2
DOIs	https://doi.org/10.1007/BF00813740
State	Published - Jun 1996
Externally published	Yes

Keywords

(CoO) /SiO
(CoO) /ZSM5
Clusters in zeolites
Simulation

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10.1007/BF00813740

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title = "Structural stabilisation of (CoO)x clusters in ZSM5 zeolites",

abstract = "The structure and stability of (CoO)x clusters in siliceous ZSM5 (silicalite) and on SiO2 have been investigated using atomistic simulation techniques. The deconvolution of the energy into distortion and interaction contributions revealed that the improved stability of the supported clusters is due to the energy gained from the cluster-host interaction. (CoO)x clusters in ZSM5 of between 4 and 6 Co atoms showed an enhanced stability, while clusters larger than 18 Co atoms were sterically limited inside the zeolite lattice.",

keywords = "(CoO) /SiO, (CoO) /ZSM5, Clusters in zeolites, Simulation",

author = "A. Jentys and K. Kleestorfer and H. Vinek",

year = "1996",

month = jun,

doi = "10.1007/BF00813740",

language = "English",

volume = "39",

pages = "119--123",

journal = "Catalysis Letters",

issn = "1011-372X",

publisher = "Kluwer Academic Publishers",

number = "1-2",

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TY - JOUR

T1 - Structural stabilisation of (CoO)x clusters in ZSM5 zeolites

AU - Jentys, A.

AU - Kleestorfer, K.

AU - Vinek, H.

PY - 1996/6

Y1 - 1996/6

N2 - The structure and stability of (CoO)x clusters in siliceous ZSM5 (silicalite) and on SiO2 have been investigated using atomistic simulation techniques. The deconvolution of the energy into distortion and interaction contributions revealed that the improved stability of the supported clusters is due to the energy gained from the cluster-host interaction. (CoO)x clusters in ZSM5 of between 4 and 6 Co atoms showed an enhanced stability, while clusters larger than 18 Co atoms were sterically limited inside the zeolite lattice.

AB - The structure and stability of (CoO)x clusters in siliceous ZSM5 (silicalite) and on SiO2 have been investigated using atomistic simulation techniques. The deconvolution of the energy into distortion and interaction contributions revealed that the improved stability of the supported clusters is due to the energy gained from the cluster-host interaction. (CoO)x clusters in ZSM5 of between 4 and 6 Co atoms showed an enhanced stability, while clusters larger than 18 Co atoms were sterically limited inside the zeolite lattice.

KW - (CoO) /SiO

KW - (CoO) /ZSM5

KW - Clusters in zeolites

KW - Simulation

UR - https://www.scopus.com/pages/publications/0010354856

U2 - 10.1007/BF00813740

DO - 10.1007/BF00813740

M3 - Article

AN - SCOPUS:0010354856

SN - 1011-372X

VL - 39

SP - 119

EP - 123

JO - Catalysis Letters

JF - Catalysis Letters

IS - 1-2

ER -

Structural stabilisation of (CoO)_x clusters in ZSM5 zeolites

Abstract

Keywords

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