boron nitride semiconducting zigzag swcnt, $b_{cb}$$n_{cn}$$c_{1-cb-cn}$, as a potential candidate for making nanoelectronic devices was examined. in contrast to the previous dft calculations, wherein just one boron and nitrogen doping configuration have been considered, here for the average over all possible configurations, density of states (dos) was calculated in terms of boron and nitrogen ...

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 ...

abstract global financial crisis has created too many problems in relations among governments. among these problems, the issue of global monetary management, more than every time in the past four decades, has been moved in the center of international economic attentions. a problem which is specially known with the monetary hostility between united states and public republic of china. where ar...

in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...

abstract chickpea is weak in competition of weeds that damages to it at between 40 t0 60 percent. kermanshah province is one of the most important region for chickpea fields in iran. for these reosons, weed management is necessary in this crop. in order to evaluate of herbicides and stubble control on broad leave weeds control in chickpea. experiment was conducted in agricultural research stat...

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...

abstract part one: the electrode oxidation potentials of a series of eighteen n-hydroxy compounds in aqueous solution were calculated based on a proper thermodynamic cycle. the dft method at the level of b3lyp-6-31g(d,p) was used to calculate the gas-phase free energy differences ,and the polarizable continuum model (pcm) was applied to describe the solvent and its interaction with n-hydroxy ...