Strain engineering of magnetic states of vacancy-decorated hexagonal boron nitride

Computational studies of carbon decorated boron nitride nanocones

Density functional theory ,(DFT) calculations have been performed to investigate the properties ofcarbon decorated (C-decorated) models of boron nitride (BN) nanocones. To this aim, the apex andtip of nanocone have been substituted by the carbon atoms to represent the C-decorated models. Theresults indicated that dipole moments and energy gaps could reveal the effects of C-decorations onthe pro...

Chemical and Bandgap Engineering in Monolayer Hexagonal Boron Nitride

Monolayer hexagonal boron nitride (h-BN) possesses a wide bandgap of ~6 eV. Trimming down the bandgap is technically attractive, yet poses remarkable challenges in chemistry. One strategy is to topological reform the h-BN's hexagonal structure, which involves defects or grain boundaries (GBs) engineering in the basal plane. The other way is to invite foreign atoms, such as carbon, to forge biza...

Hexagonal boron-nitride nanomesh magnets

Defect-related photoluminescence of hexagonal boron nitride

Photoluminescence of polycrystalline hexagonal boron nitride (hBN) was measured by means of time-and energy-resolved spectroscopy methods. The observed bands are related to DAP transitions, impurities and structural defects. The excitation of samples by high-energy photons above 5.4 eV enables a phenomenon of photostimulated luminescence (PSL), which is due to distantly trapped CB electrons and...

Geometric and electronic structures of monolayer hexagonal boron nitride with multi-vacancy

Hexagonal boron nitride (h-BN) is an electrical insulator with a large band gap of 5 eV and a good thermal conductor of which melting point reaches about 3000 °C. Due to these properties, much attention was given to the thermal stability rather than the electrical properties of h-BN experimentally and theoretically. In this study, we report calculations that the electronic structure of monolaye...