the electronic and structural properties of pristine and carbon doped (c-doped) boron nitride nano-ribbons(bnnrs) have been studied employing density functional theory (dft) calculations. total energies, gapenergies, dipole moments, and quadrupole coupling constants (qcc) have been calculated in the optimizedstructures of the investigated bnnrs. the results indicated that the stability and gap ...

A unique, all-ceramic material capable of nonbrittle fracture via crack deflection and delamination has been mechanically characterized from 25° through 1400°C. This material, fibrous monoliths, was comprised of unidirectionally aligned 250 mm diameter silicon nitride cells surrounded by 10 to 20 mm thick boron nitride cell boundaries. The average flexure strengths of fibrous monoliths were 510...

Past molecular dynamics studies of boron-nitride nanotubes have used van der Waals parameters from generic force fields, combined with various values for the partial charges on the boron and nitrogen atoms. This paper explores the validity of these parameters by first using quantum chemical packages CPMD and Gaussian to compute partial charges for isolated and periodic boron nitride nanotubes, ...

Piezoelectricity is a unique property of materials that permits the conversion of mechanical stimuli into electrical and vice versa. On the basis of crystal symmetry considerations, pristine carbon nitride (C3N4) in its various forms is non-piezoelectric. Here we find clear evidence via piezoresponse force microscopy and quantum mechanical calculations that both atomically thin and layered grap...

The presence of capping materials during annealing (activation for example) can substantially impact the silicon junction profiles of Complementary Metal Oxide Semiconductor Field Effect Transistors (CMOSFET), depending on the nature of these layers. In this paper we specifically investigated the boron out-diffusion from a silicon junction into the silicon oxide in presence of a silicon oxide/s...

We study the coherent spin-polarized transport through a zigzag-edge graphene flake (ZGF), using Hubbard model in the nearest neighbor approximation within the framework of the Green function’s technique and Landauer formalism. The system considered consists of electrode/ (ZGF)/electrode, in which the electrodes are chosen to be armchair nanoribbons. The study was performed for two types of ele...

The effects of edge chemistry on the relative stability and electronic properties of zigzag boron nitride nanoribbons (ZBNNRs) are investigated. Among all functional groups considered, fully hydroxylated ZBNNRs are found to be the most energetically stable. When an in-plane external electric field is applied perpendicular to the axis of both hydrogenated and hydroxylated ZBNNRs, a spin-polarize...