molecular orbital descriptionperiodic LUC-MINDO methodIn this communication we consider the application of the periodic LUC-MINDO method to the hexagonal, zincblende and wurtzite phases of boron nitride. The parameters are empirically determined by fitting to a wide range of electronic and structural ...
Hydrogen storage in boron nitride and carbon clusters studied by molecular orbital calculations. Solid State Commun. 2004; 131: 121-124.Koi N,Oku T.Hydrogen storage in boron nitride and carbon clusters studied by molecular orbital calculations. Solid State Communications . 2004...
First, the precursor of boric acid/melamine was prepared from solution by co-precipitation, and then ultrafine hexagonal boron nitride nanocrystals of a particle size ≤20 nm, with narrow particle size distribution and in high purity, were prepared by high-temperature heat treatment, followed by...
Asymmetric transport characteristic inn- andp-type conductivity has long been a fundamental difficulty in wide bandgap semiconductors. Hexagonal boron nitride (h-BN) can achievep-type conduction, however, then-type conductivity still remains unavailable. Here, we demonstrate a concept of orbital split ...
Withnitrogen, boron formsboron nitride(BN), which, like carbon, can exist in two allomorphic (chemically identical but physically different) forms. One of them has a layer structure resembling that ofgraphite, whereas the other has a cubic crystalline structure similar to that ofdiamond. The lat...
Intrinsically low-dimensional materials, such as the van der Waals material hexagonal boron nitride (h-BN), offer an appealing alternative—spins confined to the same two-dimensional (2D) atomic plane, and all at the surface, offer enormous potential to engineer quantum functionality. Magneto-...
Menichetti L, De Marchi D, Calucci L, Ciofani G, Menciassi A, Forte C: Boron nitride nanotubes for boron neutron capture therapy as contrast agents in magnetic resonance imaging at 3 T. Appl Radiat Isot 2011, 69: 1725-1727. 10.1016/j.apradiso.2011.02.032 Google Scholar Orlova A, ...
We investigated the adsorption of ifosfamide (IFS) on the outer surface of zigzag (10, 0) carbon nanotubes (CNT), boron nitride nanotubes (BNNT), and silicon carbon nanotubes (SiCNT), using density functional theory (DFT) calculations at the PBE-D3 level in a water solvent phase. Based ...
Single photon emission of atom-like defects in hexagonal boron nitride at room temperature.aTop image shows the normalized intensity of emission for an isolated single photon emitter in layered hBN when excited non-resonantly. The graph in the bottom is the second-correlation histogram of the quantu...
Koi, N,Oku, T.Molecular orbital calculations of hydrogen storage in carbon and boron nitride clusters. Science and Technology of Advanced Materials . 2004Naruhiro Koi,Takeo Oku. Molecular orbital calculations of hydrogen storage in carbon and boron nitride clusters[J].Science and Tech of Advanced ...