we report a first-principles study of electrical transport in a single molecular conductor consisting of a buthane-dithiol sandwiched between two au (100) electrodes. we show that the current was increased by increasing of the external voltage biases. the projected density of states (pdos) and transmission coefficients (t(e)) under various external voltage biases are analyzed, and it suggests t...

This paper shows a theoretical study of the thermal properties of armchair grapehen nanoribbons in the presence of extended vacancies. Each graphene nanoribbons formed by superlattices with a periodic geometric structure, different size and symmetry of vacancies. The phonon dispersion, specific heat and thermal conductivity properties are described by a force-constant model and also by Landauer...

in this study, the effects of oleothermal modification on physical and mechanical peroperties of fir wood (abeis sp.) blocks were examined. at first, some blocks of fir wood with 5 × 20 × 120 cm dimensions were prepared. the blocks were treated in soybean oil. the effects of 3 factors such as treatments temperature (180and 200 °c), holding time (12 and 15 h) and initial moisture content of wood...

in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...