Boron Nanotube Structure Explored by Evolutionary Computations
نویسندگان
چکیده
In this work, we explore the structure of single-wall boron nanotubes with large diameters (about 21 Å) and a broad range surface densities atoms. The computations are done using an evolutionary approach combined nearest-neighbors model Hamiltonian. For most stable nanotubes, number 5-coordinated atoms is about 63% total forming whereas 11% vacancies. hole smaller than 0.22, exhibit randomly distributed hexagonal holes more flat stripe quasi-flat B36 cluster. larger (>0.22), resemble porous tubular structures sizes that depend on
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ژورنال
عنوان ژورنال: Crystals
سال: 2022
ISSN: ['2073-4352']
DOI: https://doi.org/10.3390/cryst13010019