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... 

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... 

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... 

Metal Organic Frameworks (MOFs) have received enormous attention in catalysis field due to their special structures and various promising applications. One of the intriguing applications of MOFs is utilization of them as precursors for synthesis of metal oxide nanomaterials. Base on this strategy, in this work, we have applied Cu-MOF to prepare a series of noble metal nanoparticles (Ag and Au) decorated CuO (M/CuO) as efficient catalyst. As-prepared nanocomposites were characterized by various analytical techniques and their catalytic performances appraised by using of the catalytic reduction of p-nitrophenol to p-aminophenol as a reliable model reaction. Experimental results suggest that... 

The application of a hybrid Cu(tpa).GO (Cu(tpa) copper terephthalate metal organic framework, GO graphene oxide) composite as a new adsorbent for the removal of toxic metal ions was reported. New hybrid nanocomposite with excellent dispersibility and stability was successfully fabricated by the simple and effective ultrasonication method. The synthesized composite was characterized by scanning electron microscopy (SEM), UV-Vis and Fourier-transform infrared (FT-IR) techniques. The characterization results concluded that the binding mechanism of the Cu(tpa) and GO was related to both packing and hydrogen bonding. For scrutinizing the sorption activity, the prepared adsorbents were assessed... 

In this research, the equilibrium and dynamic adsorption studies of the CO2 upon the MIL-101(Cr) metal-organic framework (MOF) as well as its GNP hybrid composites, the MIL-101(Cr)/GNP, were performed. First, the hybrid composite samples were synthesized by adding various amounts of GNP in an in situ manner during the preparation of the MIL-101(Cr). The prepared materials were characterized through several physicochemical analyses, including powder X-ray diffraction (PXRD), adsorption of nitrogen at 77.4 K, Fourier transfer infrared (FT-IR) spectroscopy, thermal analysis (DTG), and field emission scanning electron microscopy (FESEM). It was demonstrated that the synthesized MIL-101(Cr)/GNP... 

The adsorptive removal of terephthalic acid (TPA) and p-toluic acid (p-tol) by metal organic frameworks (MOF) of Cu-BTC, Fe-BTC, MIL-101(Cr) and MIL-53(Al) was investigated in this study. The influence of various factors including solution pH, contact time, and initial concentration of TPA and p-tol solutions on the adsorption behavior was evaluated. Different adsorption isotherms and kinetic models were used to fit experimental adsorption data. It was found that the Langmuir and Redlich-Peterson adsorption isotherms were adequate to represent the experimental data (R2 > 0.97) and that the adsorption kinetics was well-represented by a pseudo-second-order kinetic model (R2 > 0.98). The zeta... 

In this work, the adsorption of benzoic acid (BA) over metal organic framework of chromium-benzenedicarboxylates (MIL-101) is reported for the first time. The influences of pH, contact time, initial concentration, and temperature of BA solution on the adsorption behavior were investigated. The Langmuir adsorption isotherm was adequate to represent the experimental data (R2 > 0.99) and the adsorption kinetics was well-represented by a pseudo-second order kinetic model (R2 > 0.96). The zeta potential of MIL-101 decreased with increasing pH confirming the importance of electrostatic interactions between MIL-101 and BA as well as the importance of the large pore volume (1.32 m3/g) and large... 

In this study, AgxNi100-x, and CoxNi100-x (x = 0, 20, 40, 60, 80, and 100) bimetallic nanoparticles were successfully decorated on the surface of CeO2 nanorods derived from Ce-metal organic frameworks (Ce-MOF). The as-synthesized products were characterized using different techniques including XRD, FE-SEM, EDX, TEM, ICP, and BET. The as-prepared nanocomposites showed remarkable catalytic activity towards the reduction of organic pollutants such as 4-nitrophenol (4-NP), and rhodamine-B dye (RhB) by NaBH4 solution, with high stability and reusability for five consecutive cycles. The obtained results indicated that among these nanocomposites, Ag80Ni20@CeO2, and Co60Ni40@CeO2 exhibited the best... 

In this study, zeolitic imidazolate framework (ZIF-8) as a metal-organic framework (MOF) and its hybrid nanocomposites based on graphene oxide (GO) and carbon nanotubes (CNTs) were synthesized by facile method at an ambient temperature. The sufficiency of GO and CNT substrates as the main components of the composites to grow nanoscale MOFs and increase dispersive forces were investigated. The characteristics of the MOF and hybrid nanocomposites were studied using FTIR, SEM, XRD, BET and TGA techniques. The prepared nanomaterials applied as adsorbents to remove malachite green (MG) as a cationic dye from colored wastewater. The removal rates of the hybrid nanocomposites were greater than that... 

A three–dimensional metal organic framework (3D–MOF) and a two–dimensional polyoxometalate (2D–POM), both incorporating nanostructured molybdenum (VI) oxide, were synthesized and implemented for headspace needle trap extraction of traces of chlorobenzenes (CBs). The 3D–MOF of type {(Mo2O6)(4,4′–bpy)}n and the 2D–POM of type [4,4′–bpy][Mo7O22] were synthesized by a solvothermal process and characterized by FT–IR, powder X–ray diffraction, scanning electron microscopy, transmission electron microscopy, thermogravimetry, energy dispersive X–ray, elemental mapping and Brunner–Emmet–Teller adsorption analyses. The 3D–MOF proved to be superior. Following thermal desorption, the CBs...