Sharif Digital Repository

The electronic transmission and conductance of a gapped graphene superlattice were calculated by means of the transfer-matrix method. The system that we study consists of a sequence of electron-doped graphene as wells and hole-doped graphene as barriers. We show that the transmission probability approaches unity at some critical value of the gap. We also find that there is a domain around the critical gap value for which the conductance of the system attains its maximum value  

The adsorption and dissociation of H2O2 on small PdxM3-x (M=Pt, Cu; x = 1-3) clusters is investigated using the B3PW91 hybrid density functional method. Natural bond orbitals are analysed to obtain partial charges on atoms, dipole moments, bond orders, and hybrid orbitals of the PdxM3-x-H2O2 systems. The calculated adsorption energies are in the range of -0.32 to -2.12 eV. Generally, H2O2 adsorbs on top positions through one of its oxygen atoms and only in a few cases reacts with the cluster through both oxygen and hydrogen sides. In the latter case the cluster sites which are negatively charged interact with the hydrogen atoms. Interestingly, on the triplet Pd2Pt cluster, H2O2 dissociates... 

Ternary nanocomposites of polypropylene/polyamide 6/layered silicate were prepared through three different processing procedures. X-ray diffraction and transmission electron microscopy were used to study the nanostructure of the samples, and tensile and impact strength measurements were conducted to assess the mechanical properties. It was shown that processing route has a significant effect on the delamination of clay platelets. Fully exfoliated nanostructure was achieved through a certain two-step processing route. Compatibilization of the blends affected microstructure as well as nanostructure. Mechanical properties were affected by changing the processing route, to a great degree....