Sharif Digital Repository

In the present work, adsorption of hydrogen molecules over a metal organic framework (MOF-5) has been investigated by using first principles density functional theory (DFT). Different strategies have been applied for improving hydrogen storage, i.e. metal doping, boron substitution and functionalization. The metal atoms used for enhancing hydrogen adsorption include Li, Ca and Sc. It is found that the binding energy between these metal atoms and MOF is not enough to prevent clustering. Therefore a number of carbon atoms are substituted by boron atoms and it is indicated that boron substitution enhances the binding energies, significantly. Also the results reveal that boron substituted MOF... 

A metal-organic framework [Co3(BDC)3(DMF)2(H2O)2] was synthesized and structurally characterized. X-ray single crystal analysis revealed that the framework contains a 2D polymeric chain through coordination of 1,4-benzenedicarboxylic acid linker ligand to cobalt centers. The polymer crystallize in monoclinic P21 /n space group with a=13.989(3) Å, b=9.6728(17) Å, c=16.707(3) Å, and Z=2. The polymer features a framework based on the perfect octahedral Co-O6 secondary building units. The catalytic activities of [Co3(BDC)3(DMF)2(H2O)2]n for olefins oxidation was conducted. The heterogeneous catalyst could be facilely separated from the reaction mixture, and reused three times without significant... 

We show that a metal-organic framework (MOF) sustained by a nanosized Ag12 cuboctahedral node can be applied to selectively extract traces of lead(II) ion from environmental water samples. The MOF was characterized by thermogravimetric and differential thermal analysis, scanning electron microscopy, FTIR, and X-ray diffraction. The effects of pH value, flow rates, of type, concentration and volume of the eluent, of break-through volume and potentially interfering ions on the separation and determination of lead were evaluated. Following desorption with EDTA, Pb(II) was quantified by FAAS. The use of the MOF results in excellent analytical figures of merit including an analytical range from 2... 

By fabrication of several bolometric detectors on the YBCO film made of Metal-Organic Deposition (MOD) and the effect of pattering and film parameters on the optical responsivity of transition edge sensors is investigated. The low cost nonfluorine (MOD) method has been applied to fabricate YBCO thin films with different patterning parameters. The measurement results of the optical responsivity versus modulation frequency up to 100 KHz for these devices are reported  

We present the results of a bolometric transition-edge sensor made of a high-Tc superconductor YBCO thin film prepared by fluorine-free metal-organic deposition. The structure of the films was characterized by X-ray diffraction and scanning electron microscopy, and the superconducting properties were determined by R-T measurements. The applicability of the resulting film as an infrared sensor is reported here. The optical response in the range of near infrared and the noise characteristics of the patterned bolometer are measured and analyzed. The dependence of device sensitivity on the bias current and modulation frequency is also investigated. As it is presented in this paper, the results... 

Copper-succinate-layered hydroxide (CSLH), a new nanohybrid material, was synthesized as an inorganic-organic nanohybrid, in which organic moiety was intercalated between the layers of a single cation layered material, copper hydroxide nitrate. Microporous scaffold carbon material was obtained by thermal decomposition of the nanohybrid at 500°C under argon atmosphere followed by acid washing process. Furthermore, the heat-treated product of the nanohybrid at 600°C was ultrafine mesoporous metallic copper particles. The results of this study confirmed the great potential of CSLH to produce the carbon material with large surface area (580m2/g) and high pore volume copper powder (2.04cm3/g)  

For the first time, we report novel Ag3PO4/BiPO4 (AB)-graphene-based photocatalysts. The fabricated nanocomposites were characterized by various techniques. The photocatalytic properties of the prepared catalysts were evaluated by the photodegradation of Atrazine herbicide under both visible and UV light irradiation. Atrazine concentration was determined using the spectrophotometric method according to the Konig's reaction by monitoring the absorbance at 470 nm wavelength during the photodegradation process. Both degradation rate and efficiency using graphene (GR)-based nanocomposites are found to be much better than using pure AB. Atrazine photodegradation displayed that the AB supporting... 

Abstract In this study, adsorption of the CO2 and N2 gases on the MIL-53(Al) and its hybrid composite with the graphene nano-plates (GNP), MIL-53(Al)/GNP, adsorbents were investigated. These materials were synthesized using the solvothermal reaction method. The prepared samples were characterized by means of the powder X-ray diffraction (PXRD), field emission scanning electron microscopy (FESEM), N2 adsorption-desorption isotherms (BET-BJH surface area measurement) and Fourier transfer infrared (FT-IR) spectroscopy methods as well as; thermogravimetric analysis (TGA). Adsorption equilibrium of the CO2 and N2 on the sorbents were... 

A metal-organic framework [Co3(BDC)3(DMF)2(H2O)2] was synthesized and structurally characterized. X-ray single crystal analysis revealed that the framework contains a 2D polymeric chain through coordination of 1,4-benzenedicarboxylic acid linker ligand to cobalt centers. The polymer crystallize in monoclinic P21/n space group with a=13.989(3) Å, b=9.6728(17) Å, c=16.707(3) Å, and Z=2. The polymer features a framework based on the perfect octahedral Co-O6 secondary building units. The catalytic activities of [Co3(BDC)3(DMF)2(H2O)2]n for olefins oxidation was conducted. The heterogeneous catalyst could be facilely separated from the reaction mixture, and reused three times without significant... 

A metal organic framework-polyaniline (MOF/PANI) nanocomposite was electrodeposited on a stainless steel wire and used as a solid phase microextraction (SPME) fiber coating. The electropolymerization process was carried out under a constant deposition potential and applied to the corresponding aqueous electrolyte containing aniline and MOF particles. The employment of MOFs with their large and small cages and 3-D structures in synthesizing a nanocomposite was assumed to be efficient constitutes to induce more non-smooth and porous structures, approved by scanning electron microscopy (SEM) images. Three different MOFs were incorporated to synthesize the desired nanocomposites and the... 

We report on the results of a YBa2Cu3O7−x (YBCO) superconductive transition edge bolometer (TEB) fabricated on a Ce0.9La0.1O2−7 (CLO) buffered single crystalline yttria-stabilized zirconia (YSZ) substrate. Metal organic deposition was used for the fabrication of both the YBCO thin film as well as CLO buffer layer, while standard photolithography was applied for TEB preparation. YBCO thin film properties were analysed using scanning electron microscopy (SEM), X-ray diffraction (XRD), AC susceptibility and resistance versus temperature measurements. Optical response of the TEB in terms of voltage amplitude and phase was analysed and measured through four-probe technique in a liquid nitrogen... 

The effect on the thermal parameters of superconducting transition-edge bolometers produced on a single crystalline SrTiO3 (STO) substrate with and without a CeO2 buffer layer was investigated. Metal-organic deposition was used to deposit the 20-nm CeO2 buffer layer, whereas RF magnetron sputtering was applied to fabricate 150-nm-thick superconducting YBa2Cu3O7-δ (YBCO) thin film. The critical transition temperature for both of the YBCO films was 90 K, and the transition width was ∼1.9 K. The bolometers fabricated from these samples were characterized with respect to the voltage phase and amplitude responses, and the results were compared with that of simulations conducted by applying a... 

A low cytotoxic metal–organic framework (MOF) UiO-66 (UiO stands for University of Oslo) and NH2-UiO-66, that showed high cell viability of HFF-2 via 3-(4, 5-dimethylthiazol-2-yl) 2, 5-diphenyl tetrazolium assay, was reported as an effective adsorbent (antidotal) agents. The structure of MOFs was confirmed by Fourier transform infrared, Field emission scanning electron microscopy (FESEM) and X-ray diffraction. Thermal behavior of MOFs was investigated using with thermogravimetric analyzer in nitrogen atmosphere to check the thermal stability. FESEM showed NH2-UiO-66 displayed symmetrical crystals with triangular base pyramid morphology, with the particle size around 100 nm and uniform size...