Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

T. Wada; G. Takasao; A. Piovano; MADDALENA D'AMORE; A. Thakur; P. Chammingkwan; P. C. Bruzzese; M. Terano; B. Civalleri; S. Bordiga; E. Groppo; T. Taniike

doi:10.1016/j.jcat.2020.03.002

Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

T. Wada, G. Takasao, A. Piovano, MADDALENA D'AMORE, A. Thakur, P. Chammingkwan, P. C. Bruzzese, M. Terano, B. Civalleri, S. Bordiga, E. Groppo, T. Taniike

Dipartimento di Scienze e Innovazione Tecnologica

Risultato della ricerca: Contributo su rivista › Articolo in rivista › peer review

Abstract

The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

Lingua originale	Inglese
pagine (da-a)	76-86
Numero di pagine	11
Rivista	Journal of Catalysis
Volume	385
DOI	https://doi.org/10.1016/j.jcat.2020.03.002
Stato di pubblicazione	Pubblicato - 2020

Keywords

Nanocrystal
Pair distribution function
Structural disorder
Synchrotron
Total scattering
XRD
Ziegler-Natta catalysts

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10.1016/j.jcat.2020.03.002

https://hdl.handle.net/11579/200342

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title = "Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering",

abstract = "The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.",

keywords = "Nanocrystal, Pair distribution function, Structural disorder, Synchrotron, Total scattering, XRD, Ziegler-Natta catalysts, Nanocrystal, Pair distribution function, Structural disorder, Synchrotron, Total scattering, XRD, Ziegler-Natta catalysts",

author = "T. Wada and G. Takasao and A. Piovano and MADDALENA D'AMORE and A. Thakur and P. Chammingkwan and Bruzzese, {P. C.} and M. Terano and B. Civalleri and S. Bordiga and E. Groppo and T. Taniike",

year = "2020",

doi = "10.1016/j.jcat.2020.03.002",

language = "English",

volume = "385",

pages = "76--86",

journal = "Journal of Catalysis",

issn = "0021-9517",

publisher = "Academic Press Inc.",

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TY - JOUR

T1 - Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

AU - Wada, T.

AU - Takasao, G.

AU - Piovano, A.

AU - D'AMORE, MADDALENA

AU - Thakur, A.

AU - Chammingkwan, P.

AU - Bruzzese, P. C.

AU - Terano, M.

AU - Civalleri, B.

AU - Bordiga, S.

AU - Groppo, E.

AU - Taniike, T.

PY - 2020

Y1 - 2020

N2 - The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

AB - The activation of MgCl2 is an essential step for preparing performant Ziegler-Natta catalysts (ZNCs), but the structural characterization of the so formed δ-MgCl2 has been left behind due to its complicated disorder. In the current study, synchrotron X-ray total scattering is applied for the structure analysis of δ-MgCl2. Complementary use of powder X-ray diffraction (PXRD) and pair distribution function (PDF) enabled determining the type and extent of disorder for a series of mechanically and chemically activated δ-MgCl2 samples. Moreover, their combination with molecular simulation successfully derived consistent nanoparticle models, where the conventional interpretation of disorderedly stacked nanoplates was justified in a cross-validated manner.

KW - Nanocrystal

KW - Pair distribution function

KW - Structural disorder

KW - Synchrotron

KW - Total scattering

KW - XRD

KW - Ziegler-Natta catalysts

KW - Nanocrystal

KW - Pair distribution function

KW - Structural disorder

KW - Synchrotron

KW - Total scattering

KW - XRD

KW - Ziegler-Natta catalysts

UR - https://iris.uniupo.it/handle/11579/200342

U2 - 10.1016/j.jcat.2020.03.002

DO - 10.1016/j.jcat.2020.03.002

M3 - Article

SN - 0021-9517

VL - 385

SP - 76

EP - 86

JO - Journal of Catalysis

JF - Journal of Catalysis

ER -

Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering

Abstract

Keywords

OSS delle Nazioni Unite

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