  In this paper, we report a new boron nitride molecular structure called
BN-nanobelt, an inorganic analog of (12) cyclophenacene synthesized in 2017. An
extensive investigation using Density Functional Theory (DFT) and Quantum
Molecular Dynamics (QMD) calculations showed that BN-nanobelt is a structurally
and thermally stable molecule with all positive vibrational frequencies.
BN-nanobelt behaves as an insulator, and it absorbs in the ultraviolet region,
suggesting a potential application as a UV detector. All results presented in
this paper indicate structural stability and the possibility of its synthesis.
We hope that the proposed BN-nanobelt structure could stimulate further
experimental investigations on its synthesis and bring potential novel
technological applications.
