English

The structure of porous 2D boron crystals

Materials Science 2021-11-25 v1

Abstract

In this work, we foresee the structure of a new class of borophenes with smaller 2D densities of atoms than those explored so far for 2D boron crystals. Boron atoms in the porous borophenes tend to be 55-coordinated in contrast to commonly investigated structures with hexagonal holes for which the number of nearest neighbors of each atom varies from 33 to 66. High metallic character is the usual feature of borophenes, however, we have also identified a semimetallic borophene that turns into semiconductor upon unit cell expansion. A 10%10\% increase in lattice constant of this structure gives rise to an energy gap of 0.3eV0.3\,\textnormal{eV}. This extends to semiconductor industry the possible application of 2D boron crystals.

Keywords

Cite

@article{arxiv.2109.08739,
  title  = {The structure of porous 2D boron crystals},
  author = {T. Tarkowski and M. Marchwiany and N. Gonzalez Szwacki},
  journal= {arXiv preprint arXiv:2109.08739},
  year   = {2021}
}

Comments

7 pages, 7 figures, 2 tables