Structural deformation and collapse in metal-organic frameworks (MOFs) can lead to loss of long-range order, making it a challenge to model these amorphous materials using conventional computational methods. In this work, we show that a structure-property map consisting of simulated data for crystalline MOFs can be used to indirectly obtain adsorption properties of structurally deformed MOFs. T...

The crystalline structure of two biodegradable odd-odd polyesters (i.e., poly(nonamethylene pimelate) (PES 9,7) and poly(nonamethylene azelate) (PES 9,9)) was investigated by means of electron and X-ray diffraction of single crystals and oriented fibers, respectively. Truncated rhombic crystals were obtained with an aspect ratio that was strongly depended on the supercooling degree. The crystal...

M D simulation is used to investigate ther self-organization exhibited by a chain of atoms with strong interaction between nearest neighbours and weak interaction between more distant atoms. It is shown that the supermolecular structure is formed in several steps: at first, an initially straight chain becomes zigzag-shaped, then the zigzag ribbon folds, producing regions of crystalline and amor...

The magnetic properties of calcined cobalt ferrite formed by nano-crystalline powders have been compared by two different methods (co-precipitation and hydrothermal). The structural properties of the produced powders were investigated by X-ray Diffraction (XRD), scanning electron microscopy (SEM). The results show that the formation of cobalt ferrite spinel structures is effected by changing me...

The acid oxidation of carbon nanotube generally results in opening the close ends of the nanotube and to make surface modifications. Herewith, Multiwall carbon nanotubes (MWCNTs) were oxidized in acids at high temperature experimental conditions which led to the formation of graphene quantum dots (GQDs).   High resolution transmission electron microscope (HRTEM), energy dispersive X-ray spectro...

In this study, a feasible green method for the synthesis of copper oxide nanocrystalline is described by using sour cherry juice which has a significant effect on crystalline size, and morphology. The benefits of the green method, not only nanometer scale are formed but also low-cost method are obtained in a normal atmosphere which it has been used (CH3COO)2Cu.H2O individually as Cu sources. Al...

The acid oxidation of carbon nanotube generally results in opening the close ends of the nanotube and to make surface modifications. Herewith, Multiwall carbon nanotubes (MWCNTs) were oxidized in acids at high temperature experimental conditions which led to the formation of graphene quantum dots (GQDs).   High resolution transmission electron microscope (HRTEM), energy dispersive X-ray spectro...

In this study, a feasible green method for the synthesis of copper oxide nanocrystalline is described by using sour cherry juice which has a significant effect on crystalline size, and morphology. The benefits of the green method, not only nanometer scale are formed but also low-cost method are obtained in a normal atmosphere which it has been used (CH3COO)2Cu.H2O individually as Cu sources. Al...

In this research zinc oxide (ZnO) nano-crystalline powders were prepared by sol-gel method using zinc acetate. The ZnO nanoparticles were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), ultraviolet-visible (UV-Vis), Fourier transform infra-red (FT-IR) and energy dispersive X-ray (EDX) spectroscopy. The structure of nanoparticles was studied using XRD pattern. The c...

Abstract: In the present work, effect of the nucleating agent such as TiO2, ZrO2, P2O5, Ye2O3 and CeO2 in single, double, triple and fourth systems on the crystallization behavior of various compositions was studied. Using differential thermal analysis (DTA), the composition of Li2O-Al2O3-SiO2 (LAS) was optimized and the coefficient of thermal expansion (CTE), three point flexural strength, har...