Sharif Digital Repository

Van der Waals (vdW) heterostructures of two-dimensional monolayers are a relatively new class of materials with highly tunable band alignment, bandgap energy, and bandgap transition type. In this study, we performed density functional theory calculations to investigate how a vdW heterostructure of heptazine-based graphitic carbon nitride (hg-C3N4) and graphitic zinc oxide (g-ZnO) monolayers is formed (hg-C3N4/g-ZnO). This heterostructure is a potential solar-driven photocatalyst for the water-splitting reaction. Upon the formation of the heterostructure, a type-I indirect bandgap (Eg = 2.08 eV) is created with appropriate conduction band minimum and valence band maximum levels relative to... 

Demand for high-capacity, long cycle life, and aqueous batteries based on abundant metals such as nickel, zinc, aluminum, and so on is rising in the energy storage field. In this study, we design a hierarchical morphology as a nanosheet-built microsphere of nickel vanadium layered double hydroxide (NiV LDH) with conductive agents graphene oxide (GO) and multiwalled carbon nanotubes (CNTs) through a low-cost hydrothermal synthesis method. The experimental results demonstrate that the graphitic structures and functional groups of the GO and CNT play an important role in controlling nucleation, growth speed, size, and finally morphology of hierarchical nanosheets. The electrochemical results... 

This study demonstrates a new strategy in which deep eutectic solvents (DES), a new class of sustainable organic solvents, were impregnated into micro porous polymer support for separation of CO2 from CH4. Three different types of DESs were prepared by mixing and subsequent heating of betaine as hydrogen bond acceptor (HBA) in combination with either glycerol (G), ethylene glycol (EG) or urea (U) as hydrogen bond donors (HBD) in 1:3 stoichiometric mole ratio. The Fourier transform infrared (FTIR) spectroscopy was performed to confirm the formation of DESs. The gas permeation results showed that permeability of CO2 increased from 31.23 to 35.67 Barrer on substitution of HBD from glycerol to... 

This study focuses on a forward looking approach in which deep eutectic solvents (DESs), a new class of designer solvents, were impregnated into micro porous polyvinylidene fluoride (PVDF) membrane for the separation of CO2 from CH4. Three types of DESs were prepared by mixing and heating of hydrogen bond acceptor (choline chloride) with either malic acid, tartaric acid or oxalic acid as hydrogen bond donor. The Fourier transform infrared spectroscopy confirmed the hydrogen bond interactions in the resulting DES. Thermal gravimetric analysis (TGA) was used to evaluate the thermal stability of the prepared membranes. The DES based supported liquid membranes were investigated systematically to... 

Active edge sites of MoS2 nanosheets exhibit promising futures for hydrogen evolution reaction (HER), comparable with remarkable performances of highly cost platinum. However, 3D structures of MoS2 suffer from a lack of high mobility and unexposed active sites which lower the electrocatalytic activity. In this study, we show that there is a balance between increasing the active sites on the one hand and managing the charge transfer to facilitate the reaction on the other hand, and achieving this balance increases the efficiency of the electrocatalyst tremendously. For this purpose, we directly attached exfoliated MoS2 nanosheets onto carbon cloth (CC) substrate as a 3D network of conductive... 

In this study, some new aspects of adsorption of a fluorochemical onto carbonate rocks as a wettability alteration agent to a gas wetting condition with the potential application for reduction of condensate blockage in gas condensate reservoirs are presented. To achieve this, kinetics, equilibrium, and thermodynamic of the adsorption process besides contact angle, imbibition, and characterization tests are investigated. Results of adsorption experiments revealed that kinetics behavior of the utilized fluorochemical–calcite system obeyed the pseudo-second order kinetics model. There was no change in adsorption after about 20 h. Also, the intraparticle diffusion mechanism was not the only rate... 

In this study, NH2-MIL-101(Al) metal-organic frameworks (MOFs) covered with 3-aminopropyltriethoxysilane (APTES) were incorporated into the polyethersulfone (PES) to produce mixed-matrix membranes (MMMs) for CO2 separation. The APTES functionalization was performed to improve the MOF dispersion in the PES matrix. Different analyses such as X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), and field emission scanning electron microscopy (FESEM) revealed that the MOFs surface successfully functionalized with APTES. An improvement in CO2/CH4 separation efficiency was observed in MMMs, and the performance... 

In this study, NH2-MIL-101(Al) metal-organic frameworks (MOFs) covered with 3-aminopropyltriethoxysilane (APTES) were incorporated into the polyethersulfone (PES) to produce mixed-matrix membranes (MMMs) for CO2 separation. The APTES functionalization was performed to improve the MOF dispersion in the PES matrix. Different analyses such as X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET), Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA), and field emission scanning electron microscopy (FESEM) revealed that the MOFs surface successfully functionalized with APTES. An improvement in CO2/CH4 separation efficiency was observed in MMMs, and the performance... 

While Afghanistan's power sector is almost completely dependent on fossil fuels, it still cannot meet the rising power demand of this country. Deploying a combination of renewable energy systems with hydrogen production as the excess energy storage mechanism could be a sustainable long-term approach for addressing some of the energy problems of Afghanistan. Since Badakhshan is known to have a higher average wind speed than any other Afghan province, in this study, a technical, economic, and carbon footprint assessment was performed to investigate the potential for wind power and hydrogen production in this province. Wind data of four stations in Badakhshan were used for technical assessment... 

CO2 separation is of paramount importance owing to global warming abatement, as well as sour natural gas sweetening. Mixed matrix membranes (MMMs), containing porous zeolitic imidazolate frameworks (ZIFs), in particular ZIF-8, have drawn noticeable attention due to their favorable separation performance. However, there are evidences of discrepancies in the reported values of gas diffusion coefficients/diffusivities through ZIFs, even for common well-studied gases, such as CO2 and CH4 in the literature. These discrepancies might be attributed to the surface/barrier effects, which are intensified by ZIF-8 nanocrystals downsizing. In this paper, an effort has been made to determine the impact... 

A new nanocomposite polymer gel is synthesized for reduction of excess water production in petroleum reservoirs at real operating conditions. This new nanocomposite gel contains SiO2 nanoparticles, partially hydrolyzed polyacrylamide (HPAM) and chromium triacetate. High pressure and high temperature tests using porous carbonate core are carried out to evaluate the effects of nanoparticles on the synthesized polymer gel performance. It is shown that the residual resistance factor ratio of water to oil using the synthesized polymer gel nanocomposite in this work is much higher than that of the ordinary polymer gels. The presented results confirm the high performance of the synthesized... 

Catalysts as the dynamo of chemical reactions along with solvents play paramount roles in organic transformations in long-lasting modes. Thus, developing effective and biobased catalysts in nontoxic solvents is highly in demand. In this report, carbon quantum dots (CQDs) functionalized with-lysine (Lys-CQDs) were generated from entirely nature-derived materials; they were demonstrated to be a promising catalyst for C-N bond formation in choline chloride urea (ChCl/U), a natural deep eutectic solvent (NADES). Among a number of synthesized CQDs, Lys-CQD turned out to be a powerful catalyst in the model reaction with aniline to afford phenyl urea. This type of transformation is important... 

Cationic polymers such as poly-L-lysine (PLL) are able to interact electrostatically with DNA to produce polymeric systems with nanometric diameters due to the neutralization and accumulation of DNA. This study integrates the outstanding properties of carbon quantum dots (CQDs) with PLL to develop a novel gene delivery vehicle with a core-shell hybrid nanostructure. The CQD/PLL core-shell nanoparticles (NPs) were, therefore, synthesized in such a way that they had narrow size distribution and an average diameter under 10 nm, both of which were confirmed by dynamic light scattering (DLS) and transmission electron microscopy (TEM). Fourier transform infrared (FTIR) spectroscopy exhibited that... 

This survey addresses the non-polynomial framework for bending responses of three-phase multi-scale hybrid laminated nanocomposite (MHLNC) reinforced circular/annular plates (MHLNCRCP/ MHLNCRAP) based upon the three-dimensional theory of elasticity for various sets of boundary conditions. The sandwich structure with two, three, five, and seven layers is modeled using compatibility conditions. The state-space based differential quadrature method (SS-DQM) is presented to examine the bending behavior of MHLNCRCP/ MHLNCRAP by considering various boundary conditions. Halpin–Tsai equations and fiber micromechanics are used in the hierarchy to predict the bulk material properties of the multi-scale... 

Development of renewable energies is in parallel with improving high-performance energy storage devices, which can store maximum solar or wind energy and power. Herein, asymmetric energy storage systems are constructed from phosphorus-doped nickel sulfide (P-doped NiS) and biomass-derived humic acid (HA) as positive and negative electrodes, respectively. Initially, nickel sulfide (NiS) nanostructures are directly grown onto nickel foam (NF) via a hydrothermal step. P-doping into the NiS bulk is carried out through a simple hydrothermal process as well. Also, HA is activated via carbonization treatment (A-HA) for employing as the negative electrode's active material. The P-doped NiS-NF... 

Electrochemical oxidation of catechol in the presence of 3-mercapto-1,2,4-triazole (MTA) as a nucleophile in aqueous buffered solutions was studied by cyclic voltammetry and controlled-potential coulometry. The mechanism of electrochemical reaction is confirmed by spectrophotometric tracing in various times of controlled-potential coulometry. The voltammetric and spectrophotometric foundations indicate that a 1,4 Michael addition of MTA from its thiol moiety to the electrochemically derived o-quinone is occurred. The electrochemical synthesis of Michael addition product has been successfully accomplished by controlled-potential coulometry in a divided H-type cell and the reaction product was... 

To mitigate global warming and fossil fuel shortages a novel oxy-fuel combustion power plant integrated with a power to gas system is proposed. A net-zero emission MATIANT cycle with inherent CO2 capture ability is selected as the power cycle also providing the CO2 and power demand of the power to gas system, which comprises a proton exchange membrane electrolyzer for hydrogen production and a Sabatier reactor for methanation. A techno-economic investigation, a multi-objective optimization, and a sensitivity analysis are carried out. A comprehensive economic method that covers all economic aspects is utilized, and a Sabatier reactor model which considers the possibility of the presence of... 

In the present study, the solubility of paracetamol in supercritical CO2 is measured at temperatures between 311 and 358 K and pressures between 95 and 265 bar. It was shown that the solubility of paracetamol through a static solubility measurement method was between 0.3055 × 10−6 to 16.3582 × 10−6 based on mole fraction. The obtained experimental solubility data revealed the direct effect of pressure on the paracetamol experimental data, while the temperature has a dual effect of both increasing and decreasing effect considering the shifting point known as crossover pressure which was measured to be around 110 bar for paracetamol. Besides, two theoretical approaches were applied to predict... 

Sporosarcina pasteurii is a well-known ureolytic bacteria that promotes the microbially induced calcite precipitation (MICP) process for several environmental and engineering purposes. In our work, for the first time, MICP has been implemented to form pure, porous calcite structures. The maximum urease activity of S. pasteurii was 1.91 mM urea hydrolyzed min−1 at the late-exponentially phase. A reactor has been designed to achieve semi-continuous treatments, and reagents were introduced to it by a peristaltic pump. A new alternating injection pattern was adopted to obtain well-distributed precipitation. SEM images of treated structures indicated the shapes of CaCO3 crystals at a microscale... 

In this manuscript, the sequel of agglomeration on the vibration of fiber metal laminated (FML) cylindrical shell in the micro phase using developed couple stress theory (MCST). Hamilton's principle has been carried out for deriving the non-classical equations of motion of size-dependent thin micro cylindrical shell on the basis of Love's first approximation theory. Mori-Tanaka and extended rule of mixture are utilized to estimate the mechanical attributes of carbon nanotubes (CNTs) and equivalent fiber, respectively. These four phases CNTs/fiber/polymer/metal laminated (CNTFPML) micro cylindrical shell is analyzed applying beam modal function model for several boundary limitations. Then, an...