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 ...

one of the applications of nanotechnology is use of carbon nanotubes for the targeted delivery of drug molecules. to demonstrate the physical and chemical properties of biomolecules and identify new material of drug properties, the interaction of carbon nanotubes (cnts) with biomolecules is a subject of many investigations. cnts is a synthetic compound with extraordinary mechanical, thermal, el...

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...

heteropoly acids (hpa) and their salts have advantages as catalysts which make them both economically and environmentally attractive, strong br?nsted acidity, exhibiting fast reversible multi-electron redox transformations under rather mild conditions, very high solubility in polar solvents, fairly high thermal stability in the solid states, and efficient oxidizing ability, so that they are imp...

let h be a separable hilbert space and let b be the set of bessel sequences in h. by using several interesting results in operator theory we study some topological properties of frames and riesz bases by constructing a banach space structure on b. the convergence of a sequence of elements in b is de_ned and we determine whether important properties of the sequence is preserved under the con...

the history of plant’s used for mankind is as old as the start of humankind. initially, people used plants for their nutritional proposes but after the discovery of medicinal properties, this natural ?ora became a useful source of disease cure and health improvement across various human communities. berberis vulgaris is one of the medicinal plants used in iranian traditional medicine. berberis ...

asymmetric membranes are widely used in many industrial membrane separation processes. the major advantage of membrane filtration over the conventional process is its ability to remove a wider spectrum of particles without using any chemicals. hollow fiber configuration offer many advantages over flat-sheet or tubular membranes. the spinning process of hollow fiber may look simple, yet it is te...

in this project, some new polyaspartimides, (pas)s, have been synthesized form michael addition reaction between new synthetic bismaleimide (bmi) and some aromatic diamines. a characteristic property of this polyaspartimides is a pendent carboxylic group, which introduced to these polymers from new bismaleimide. bismaleimides (bmi) is one of the interesting compounds, which can be self-polymeri...

one of the most commonly used techniques to reduce the corrosion rate of rebar in concrete is addition substances named corrosion inhibitors into the concrete. corrosion inhibitor is chemical compounds that were added to concrete to prevent corrosion of steel in concrete. sodium nitrate is a type of anodic inhibitors that this study investigatesthe effect of this inhibitor on the properties of ...