Structural resolution of inorganic nanotubes with complex stoichiometry

• DOI: 10.1038/s41467-018-04360-z
• Publication Date: 2018-05-17T11:43:20Z
• Authors: Geoffrey Monet; Mohamed S. Amara; Stéphan Rouzière; Erwan Paineau; Ziwei Chai; Joshua D. Elliott; Emiliano Poli; Li-Min Liu; Gilberto Teobaldi; Pascale Launois
• Keywords: Stoichiometry; Transferability; Imogolite

Abstract Determination of the atomic structure inorganic single-walled nanotubes with complex stoichiometry remains elusive due to too many coordinates be fitted respect X-ray diffractograms inherently exhibiting rather broad features. Here we introduce a methodology reduce number variables and enable resolution for stoichiometry. We apply it recently synthesized methylated aluminosilicate aluminogermanate imogolite nominal composition (OH) 3 Al 2 O Si(Ge)CH . Fitting scattering diagrams, supported by Density Functional Theory simulations, reveals an unexpected rolling mode these systems. The transferability approach opens up improved understanding structure–property relationships benefit fundamental applicative research in