Small defects resulting from tumor ablation can be successfully managed with primary closure (i.e., limited excisions within the oral cavity), sometimes can be left to heal for secondary intention (transoral oropharyngeal/laryngeal/hypopharyngeal resections) or can be resurfaced using skin grafts or small local flaps, but in the majority of the cases the resulting defect requires a flap transpo...

the density of state and the natural bond orbital calculations were carried out to study theoxidation of co on au14 nano cluster through two different mechanisms and determining the bestmechanism for the reaction. chemisorption of o2 and co on the nano cluster led to change in energy,density of state and its thermodynamic properties. we calculated the energy band gap between thehighest occupied...

The scattering of Dirac electrons by topological defects could be one of the most relevant sources of resistance in graphene and at the boundary surfaces of a three-dimensional topological insulator (3D TI). In the long wavelength, continuous limit of the Dirac equation, the topological defect can be described as a distortion of the metric in curved space, which can be accounted for by a rotati...

We present a theoretical analysis of the atomic and electronic structure of Si-substitutional defects on the a-Sn/Si(1 1 1)( ffiffiffi 3 p ffiffiffi 3 p ) surface. We use a first-principles DFT local-orbital method and analyze Si-defects on a large Sn/Si(1 1 1) surface unit-cell, corresponding to a defect concentration as low as 3.7%. We also calculate the theoretical STM images, and compare wi...

Point defects in wide bandgap semiconductors are promising candidates for future applications that necessitate quantum light sources. Recently, defect-based single photon sources have been observed in ZnO that are very bright and remain photoactive from 4.5 K to room temperature. Despite several investigations, the structure and electronic states of these emitters remain unknown. In this work, ...

We unraveled the mechanisms of transition metal-doped mechanoluminescent materials through a case study of CaZnOS. We found that the native point defect levels in Cu or Mn-doped CaZnOS system acted as energy relay centers for luminescence energy transfer. In combination with native point defect levels, discussed in a previous study [Phys. Chem. Chem. Phys., 2016, 18, 25946], we found that phosp...

It has been shown that the two different orientations of Stone-Wales (SW) defects, i.e. longitudinal and circumferential SW defects, on carbon nanotubes (CNTs) result in two different electronic structures. Based on density functional theory we have shown that the longitudinal SW defects do not open a bandgap near the Fermi energy, while a relatively small bandgap emerges in tubes with circumfe...

We derive here a stability condition for a local moment in the presence of an interacting sea of conduction electrons. The conduction electrons are modeled as a Luttinger liquid in which chirality and spin are coupled. We show that an Anderson-U defect in such an interacting system can be transformed onto a nearly-Fermi liquid problem. We find that correlations among the conduction electrons st...