Ab initio structure determination and quantitative disorder analysis on nanoparticles by electron diffraction tomography

Acta Crystallographica. Section A, Foundations and Advances
Yaşar KrysiakUte Kolb

Abstract

Nanoscaled porous materials such as zeolites have attracted substantial attention in industry due to their catalytic activity, and their performance in sorption and separation processes. In order to understand the properties of such materials, current research focuses increasingly on the determination of structural features beyond the averaged crystal structure. Small particle sizes, various types of disorder and intergrown structures render the description of structures at atomic level by standard crystallographic methods difficult. This paper reports the characterization of a strongly disordered zeolite structure, using a combination of electron exit-wave reconstruction, automated diffraction tomography (ADT), crystal disorder modelling and electron diffraction simulations. Zeolite beta was chosen for a proof-of-principle study of the techniques, because it consists of two different intergrown polymorphs that are built from identical layer types but with different stacking sequences. Imaging of the projected inner Coulomb potential of zeolite beta crystals shows the intergrowth of the polymorphs BEA and BEB. The structures of BEA as well as BEB could be extracted from one single ADT data set using direct methods. A ratio for ...Continue Reading

References

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Citations

Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Ute KolbSergi Plana-Ruiz
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Enrico Mugnaioli, Tatiana E Gorelik
Jun 1, 2019·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Xiaoge WangJunliang Sun
Sep 5, 2019·ACS Central Science·Mauro GemmiJan Pieter Abrahams

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