Stabilization of porous borophene-graphene vertical heterostructure using unilateral hydrogenation

On point perforating defects in bilayer structures

“…When a high electron localization is reached between atoms, the bonding is considered covalent and vice versa. 23,31,53 As follows from Fig. 3, there is no noticeable difference in the nature of the interlayer carbon-boron bonds near the single vacancy and far from it.…”

“…69 Calculation of the phonon spectrum can help to understand which of the configurations should be more stable. 31…”

“…In this paper, we study the structure and properties of the perforating vacancy defects in a bilayer borophene-graphene heterostructure composed of striped borophene and graphene. [28][29][30][31] The obtained results can be successfully developed in osmotic and iontronic applications, 32 and also serve as the basis for organic resonance tunneling structures. 33…”

“…They relate to perforating defects and their study has an important practical focus on water purification, renewable energy generation, and control of electrical signals using ion transport. 32 Atoms that should be removed to simulate the corresponding types of vacancies are shown in Fig. 1 by circles of different colors: green for the boron single vacancy, blue for the double vacancy of the 1st kind, and red for the double vacancy of the 2nd kind.…”

“…69 Calculation of the phonon spectrum can help to understand which of the configurations should be more stable. 31 (4) The reference chemical potential of particles used in expression ( 4) is incorrectly determined, which is possible when heterogeneous materials are discussed.…”