Structural resolution of inorganic nanotubes with complex stoichiometry



Monet, Geoffrey, Amara, Mohamed S, Rouziere, Stephan, Paineau, Erwan, Chai, Ziwei, Elliott, Joshua D, Poli, Emiliano, Liu, Li-Min, Teobaldi, Gilberto ORCID: 0000-0001-6068-6786 and Launois, Pascale
(2018) Structural resolution of inorganic nanotubes with complex stoichiometry. NATURE COMMUNICATIONS, 9 (1). 2033-.

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Abstract

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)<sub>3</sub>Al<sub>2</sub>O<sub>3</sub>Si(Ge)CH<sub>3</sub>. 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.

Item Type: Article
Uncontrolled Keywords: Bioengineering
Depositing User: Symplectic Admin
Date Deposited: 28 Feb 2019 15:43
Last Modified: 16 Mar 2024 22:10
DOI: 10.1038/s41467-018-04360-z
Open Access URL: https://www.nature.com/articles/s41467-018-04360-z
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URI: https://livrepository.liverpool.ac.uk/id/eprint/3022634

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