Unraveling the electronic influence and nature of covalent bonding of aryl and alkyl radicals on the B₁₂N₁₂ nanocage cluster.

ABSTRACT: Carbon nanocage structures such as fullerene, nanotubes, nanocapsules, nanopolyhedra, cones, cubes, and onions have been reported since the discovery of C60, and they offer tremendous promise for investigating materials of low dimensions in an isolated environment. Boron Nitride (BN) nanomaterials such a: nanotubes, nanocapsules, nanoparticles, and clusters have been described in several studies and are predicted to be useful as electronic devices, high heat-resistance semiconductors, nanocables, insulator lubricants, and gas storage materials. The interaction, and electronic of octahedral B₁₂N₁₂ nanocage cluster covalently modified from the attachment of alkyl and aryl radicals were analyzed using Density Functional Theory calculations. The work discusses for the fir

SUBMITTER: Berisha A 

PROVIDER: S-EPMC9840632 | biostudies-literature | 2023 Jan

REPOSITORIES: biostudies-literature