Unveiling the atomic structure of single-wall boron nanotubes

Kunstmann J, Bezugly V, Rabbel H, Ruemmeli MH, Cuniberti G (2014)

Publication Type: Journal article

Publication year: 2014

Journal

Advanced Functional Materials Wiley-VCH Verlag

Book Volume: 24

Pages Range: 4127-4134

Journal Issue: 26

DOI: 10.1002/adfm.201304146

Abstract

Despite recent successes in the synthesis of boron nanotubes (BNTs), the atomic arrangement of their walls has not yet been determined and many questions about their basic properties remain. Here, the dynamic stability of BNTs is unveiled by means of first-principles molecular dynamics simulations. Free-standing, single-wall BNTs with diameters larger than 0.6 nm are found to be thermally stable at the experimentally reported synthesis temperature of 870 C and higher. The walls of thermally stable BNTs are found to have a variety of different mixed triangular-hexagonal morphologies. These results substantiate the importance of mixed triangular-hexagonal morphologies as a structural paradigm for atomically thin boron. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Involved external institutions

Columbia University US United States (USA) (US) Technische Universität Dresden DE Germany (DE) Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e.V. (IFW) / Leibniz Institute for Solid State and Materials Research Dresden DE Germany (DE)

How to cite

APA:

Kunstmann, J., Bezugly, V., Rabbel, H., Ruemmeli, M.H., & Cuniberti, G. (2014). Unveiling the atomic structure of single-wall boron nanotubes. Advanced Functional Materials, 24(26), 4127-4134. https://dx.doi.org/10.1002/adfm.201304146

MLA:

Kunstmann, Jens, et al. "Unveiling the atomic structure of single-wall boron nanotubes." Advanced Functional Materials 24.26 (2014): 4127-4134.

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