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In this work, we explore the structure of single-wall boron nanotubes withlarge diameters (about 21~{\AA}) and a broad range of surface densities ofatoms. The computations are done using an evolutionary approach combined with anearest neighbors model Hamiltonian. For the most stable nanotubes, the numberof 5-coordinated boron atoms is about $63\%$ of the total number of atomsforming the nanotubes, whereas about $11\%$ are boron vacancies. For holedensities smaller than about 0.22, the boron nanotubes exhibit randomlydistributed hexagonal holes and are more stable than a flat stripe structureand a quasi-flat B$_{36}$ cluster. For larger hole densities ($> 0.22$) theboron nanotubes resemble porous tubular structures with hole sizes that dependon the surface densities of boron atoms.

Boron nanotube structure explored by evolutionary computations