  The current rechargeable battery technologies have a failure in their
performance at high pressure and temperature. In this article, we have brought
theoretical insights on using boron nitride flakes as a protecting layer for a
lithium-ion battery device and extended its application for a spin-dependent
photon emission device. Hence, the electronic properties of pristine and
lithium-doped hydrogen-edged boron nitride flakes have been studied by the
first principle density functional theory calculations. In this study, we have
discussed the stability, adsorption energies, bond lengths, electronic gaps,
frontier molecular orbitals, the density of states, charge distributions, and
dipole moments of pristine and lithium hydrogen-edged doped boron nitride
flakes.

Applied Physics;Materials Science