Journal article
A Journey inside the U28 Nanocapsule
Chemistry : a European journal, Vol.18(27), pp.8340-8346
07/02/2012
DOI: 10.1002/chem.201200801
PMID: 22623159
Abstract
Anionic uranylperoxide U28 nanocapsules trap cations and other anions inside, whose structures cannot be resolved by X-ray diffraction, owing to crystallographic disorder. DFT calculations enabled the complete characterization of the geometry of these complex systems and also explained the origin of the disorder. The stability of the capsules was strongly influenced by the entrapped cations. Excellent agreement between experiment and theory was also obtained for the electronic character and redox properties.
Details
- Title: Subtitle
- A Journey inside the U28 Nanocapsule
- Creators
- Adria Gil - Institut Català d'Investigació QuímicaDavid Karhanek - Institut Català d'Investigació QuímicaPere Miro - Institut Català d'Investigació QuímicaMark R. Antonio - Argonne National LaboratoryMay Nyman - Sandia National LaboratoriesCarles Bo - Institut Català d'Investigació QuímicaMaterials Science of Actinides (MSA)
- Resource Type
- Journal article
- Publication Details
- Chemistry : a European journal, Vol.18(27), pp.8340-8346
- Publisher
- Wiley
- DOI
- 10.1002/chem.201200801
- PMID
- 22623159
- ISSN
- 0947-6539
- eISSN
- 1521-3765
- Number of pages
- 7
- Grant note
- 2009SGR-00462 / Generalitat de Catalunya; General Electric CTQ2011-29054-C02-02 / Spanish Ministerio de Economia y Competitividad (MINECO) Materials Science of Actinides, an EFRC DE-AC02-06CH11357 / U.S. Department of Energy, Division of Chemical Sciences, Biosciences, and Geosciences; United States Department of Energy (DOE) ICIQ Foundation; Foundation CELLEX DE-SC0001089 / U.S. Department of Energy; United States Department of Energy (DOE)
- Language
- English
- Date published
- 07/02/2012
- Academic Unit
- Chemistry
- Record Identifier
- 9984618641302771
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