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Issue 5, 2019
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Li2B24: the simplest combination for a three-ring boron tube

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Abstract

Herein we introduce a strategy employing lithium atoms as a scaffold to stabilize an embryo for boron tubes. The systematical exploration of the potential energy surface via evolutionary algorithms allowed us to find that Li2B24 adopts a tubular structure formed by three stacked rings of eight borons each with two lithium atoms capping the tube. The lithium atoms are essential for stabilization because of the strong electrostatic interaction between the Li cations and the boron framework, and concomitantly, they compensate for the energy cost of distorting a quasi-planar or double ring B24 cluster.

Graphical abstract: Li2B24: the simplest combination for a three-ring boron tube

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Publication details

The article was received on 13 Nov 2018, accepted on 12 Jan 2019 and first published on 18 Jan 2019


Article type: Communication
DOI: 10.1039/C8NR09173K
Nanoscale, 2019,11, 2143-2147

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    Li2B24: the simplest combination for a three-ring boron tube

    X. Dong, S. Jalife, A. Vásquez-Espinal, J. Barroso, M. Orozco-Ic, E. Ravell, J. L. Cabellos, W. Liang, Z. Cui and G. Merino, Nanoscale, 2019, 11, 2143
    DOI: 10.1039/C8NR09173K

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