| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Anderson, Michael W.
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (12/12 displayed)
- 2018Facile isolation of a stable S 6 -symmetric methanol hexamer using the guest-free microporous metal-organic framework:Zinc 5-tert-butyl isophthalatecitations
- 2017Predicting crystal growth via a unified kinetic three-dimensional partition modelcitations
- 2014Structures of silica-based nanoporous materials revealed by microscopycitations
- 2014Silica-Based Nanoporous Materialscitations
- 2013Materials discovery and crystal growth of zeolite A type zeolitic-imidazolate frameworks revealed by atomic force microscopycitations
- 2013A review of fine structures of nanoporous materials as evidenced by microscopic methodscitations
- 2012Crystal growth mechanisms and morphological control of the prototypical metal-organic framework MOF-5 revealed by atomic force microscopycitations
- 2012Growth mechanism of microporous zincophosphate sodalite revealed by in situ atomic force microscopycitations
- 2011Revelation of the molecular assembly of the nanoporous metal organic framework ZIF-8citations
- 2010Assessing Molecular Transport Properties of Nanoporous Materials by Interference Microscopycitations
- 2008Combined MS and NMR: attractive route to future understanding of the first stages of nucleation of nanoporous materialscitations
- 2007Crystal growth in nanoporous framework materialscitations
Places of action
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article
Predicting crystal growth via a unified kinetic three-dimensional partition model
Abstract
Understanding and predicting crystal growth is fundamental to the control of functionality in modern materials. Despite investigations for more than one hundred years1–5, it is only recently that the molecular intricacies of these processes have been revealed by scanning probe microscopy6–8. To organize and understand this large amount of new information, new rules for crystal growth need to be developed and tested. However, because of the complexity and variety of different crystal systems, attempts to understand crystal growth in detail have so far relied on developing models that are usually applicable to only one system9–11. Such models cannot be used to achieve the wide scope of understanding that is required to create a unified model across crystal types and crystal structures. Here we describe a general approach to understanding and, in<br/>theory, predicting the growth of a wide range of crystal types, including the incorporation of defect structures, by simultaneous molecular-scale simulation of crystal habit and surface topology using a unified kinetic three-dimensional partition model. This entails dividing the structure into ‘natural tiles’ or Voronoi<br/>polyhedra that are metastable and, consequently, temporally persistent. As such, these units are then suitable for re-construction of the crystal via a Monte Carlo algorithm. We demonstrate our approach by predicting the crystal growth of a diverse set of crystal types, including zeolites, metal–organic frameworks, calcite, urea and l-cystine.