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Structural resolution of inorganic nanotubes with complex stoichiometry
Determination of the atomic structure of inorganic single-walled nanotubes with complex stoichiometry remains elusive due to the too many atomic coordinates to be fitted with respect to X-ray diffractograms inherently exhibiting rather broad features. Here we introduce a methodology to reduce the nu...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5964105/ https://www.ncbi.nlm.nih.gov/pubmed/29789570 http://dx.doi.org/10.1038/s41467-018-04360-z |
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author | Monet, Geoffrey Amara, Mohamed S. Rouzière, Stéphan Paineau, Erwan Chai, Ziwei Elliott, Joshua D. Poli, Emiliano Liu, Li-Min Teobaldi, Gilberto Launois, Pascale |
author_facet | Monet, Geoffrey Amara, Mohamed S. Rouzière, Stéphan Paineau, Erwan Chai, Ziwei Elliott, Joshua D. Poli, Emiliano Liu, Li-Min Teobaldi, Gilberto Launois, Pascale |
author_sort | Monet, Geoffrey |
collection | PubMed |
description | Determination of the atomic structure of inorganic single-walled nanotubes with complex stoichiometry remains elusive due to the too many atomic coordinates to be fitted with respect to X-ray diffractograms inherently exhibiting rather broad features. Here we introduce a methodology to reduce the number of fitted variables and enable resolution of the atomic structure for inorganic nanotubes with complex stoichiometry. We apply it to recently synthesized methylated aluminosilicate and aluminogermanate imogolite nanotubes of nominal composition (OH)(3)Al(2)O(3)Si(Ge)CH(3). Fitting of X-ray scattering diagrams, supported by Density Functional Theory simulations, reveals an unexpected rolling mode for these systems. The transferability of the approach opens up for improved understanding of structure–property relationships of inorganic nanotubes to the benefit of fundamental and applicative research in these systems. |
format | Online Article Text |
id | pubmed-5964105 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
spelling | pubmed-59641052018-05-24 Structural resolution of inorganic nanotubes with complex stoichiometry Monet, Geoffrey Amara, Mohamed S. Rouzière, Stéphan Paineau, Erwan Chai, Ziwei Elliott, Joshua D. Poli, Emiliano Liu, Li-Min Teobaldi, Gilberto Launois, Pascale Nat Commun Article Determination of the atomic structure of inorganic single-walled nanotubes with complex stoichiometry remains elusive due to the too many atomic coordinates to be fitted with respect to X-ray diffractograms inherently exhibiting rather broad features. Here we introduce a methodology to reduce the number of fitted variables and enable resolution of the atomic structure for inorganic nanotubes with complex stoichiometry. We apply it to recently synthesized methylated aluminosilicate and aluminogermanate imogolite nanotubes of nominal composition (OH)(3)Al(2)O(3)Si(Ge)CH(3). Fitting of X-ray scattering diagrams, supported by Density Functional Theory simulations, reveals an unexpected rolling mode for these systems. The transferability of the approach opens up for improved understanding of structure–property relationships of inorganic nanotubes to the benefit of fundamental and applicative research in these systems. Nature Publishing Group UK 2018-05-23 /pmc/articles/PMC5964105/ /pubmed/29789570 http://dx.doi.org/10.1038/s41467-018-04360-z Text en © The Author(s) 2018 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/. |
spellingShingle | Article Monet, Geoffrey Amara, Mohamed S. Rouzière, Stéphan Paineau, Erwan Chai, Ziwei Elliott, Joshua D. Poli, Emiliano Liu, Li-Min Teobaldi, Gilberto Launois, Pascale Structural resolution of inorganic nanotubes with complex stoichiometry |
title | Structural resolution of inorganic nanotubes with complex stoichiometry |
title_full | Structural resolution of inorganic nanotubes with complex stoichiometry |
title_fullStr | Structural resolution of inorganic nanotubes with complex stoichiometry |
title_full_unstemmed | Structural resolution of inorganic nanotubes with complex stoichiometry |
title_short | Structural resolution of inorganic nanotubes with complex stoichiometry |
title_sort | structural resolution of inorganic nanotubes with complex stoichiometry |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5964105/ https://www.ncbi.nlm.nih.gov/pubmed/29789570 http://dx.doi.org/10.1038/s41467-018-04360-z |
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