Density functional theory computations with dispersion corrections (DFT-D) were performed to investigate the dihalogen interactions and their effect on the electronic band structures of halogenated (fluorinated and chlorinated) BN bilayers and aligned halogen-passivated zigzag BN nanoribbons (BNNRs). Our results reveal the presence of considerable homo-halogen (FF and ClCl) interactions in bila...

Denote by B∗ n the set of all k∗-cycle resonant hexagonal chains with n hexagons. For any Bn ∈ B ∗ n , let m(Bn) and i(Bn) be the numbers of matchings (=the Hosoya index) and the number of independent sets (=the Merrifield-Simmons index) of Bn, respectively. In this paper, we give a characterization of the k∗-cycle resonant hexagonal chains, and show that for any Bn ∈ B ∗ n , m(Hn) ≤ m(Bn) and ...

The objective of this study was to determine a classification system for BN in incarcerated groin hernia patients and to explore the possible relationship between BN staging and patient outcomes. Incarcerated groin hernia patients treated with emergency bowel resection from January 2008 to December 2013 were screened for inclusion in a prospective study. A novel three-stage classification syste...

Let Ej be the eigenvalues outside [−2, 2] of a Jacobi matrix with an − 1 ∈ ` and bn → 0, and μ′ the density of the a.c. part of the spectral measure for the vector δ1. We show that if bn / ∈ `, bn+1 − bn ∈ `, then ∑ j (|Ej | − 2) = ∞, and if bn ∈ `, bn+1 − bn / ∈ `, then ∫ 2 −2 ln(μ′(x))(4− x) dx = −∞. We also show that if an − 1, bn ∈ `, then the above integral is finite if and only if an+1 − ...

Epoxy resin is one of the most widely used thermosetting polymers and commonly applied in power electronics field. The intrinsic properties epoxy can be improved by introduction inorganic filler, thus fabricating a composite material. In this paper, different scales modified boron nitride (BN, 1 ?m, 10 ?m) were to improve thermal conductivity resin. surfaces BN modification silane coupling agen...

The existence of Single-wall C-nanocones (SWNCs), especially nanohorns (SWNHs) and BC2N/Boron Nitride (BN) analogues is discussed in organic solvents in cluster form. A theory is developed based on the bundlet model, describing distribution function by size. The phenomena present unified explanation in the model, in which free energy of (BC2N/BN-)SWNCs involved in cluster, is combined from two ...

We present a comprehensive electronic structure analysis of two BN isosteres of indole using a combined UV-photoelectron spectroscopy (UV-PES)/computational chemistry approach. Gas-phase He I photoelectron spectra of external BN indole I and fused BN indole II have been recorded, assessed by density functional theory calculations, and compared with natural indole. The first ionization energies ...

Stabilizations and atomic level quadrupole coupling constant (CQ) properties have been investigated for graphene–like monolayers (G–monolayers) of boron nitride (BN), boron phosphide (BP), aluminum nitride (AlN), and aluminum phosphide (AlP) structures. To this aim, density functional theory (DFT) calculations have been performed to optimize the model structures and also to evaluate the CQ para...

Cubic boron nitride (c-BN) films were deposited using radio-frequency ~rf! magnetron sputtering. A type of turbostratic boron nitride (t-BN) growth was found by reducing the substrate bias during deposition. Transmission electron microscopy ~TEM! study showed that the t-BN served as a different nucleation environment for c-BN compared to those reported in the literature by many other groups. Th...