Synthesis and Photophysical, Electrochemical, and DFT Studies of Piperidyl and Pyrrolidinyl Chalcones.

Small organic molecules with interesting optical and electrochemical properties find applications as organic luminescent materials. In this work, we report the synthesis of novel chalcones with D-A-D and D-A-D-A architecture, followed by their optical, electrochemical, and computational studies. The absorption band of these compounds occurs at 360-480 nm with emission maxima appearing around 513-552 nm. The large Stokes shifts (Δλ) for all compounds (90-132 nm) suggest intramolecular charge transfer (ICT) in the excited states. The molar absorptivity and fluorescence quantum yields were found to be in the range of 1.7-4.26 × 104 M-1 cm-1 and 0.29-0.39, respectively. The electrochemical parameters were determined by using cyclic voltammetry (CV). Density functional theory (DFT) calculations of all compounds were made by using B3LYP/G (d,p) functionals in chloroform and were found to have a good correlation with experimental results. Preliminary studies of absorption, photoluminescence, CV, and their theoretical correlation suggest that these compounds may be optimized for their applications in optoelectronics, sensing, and bioimaging.

Large-scale sonochemical fabrication of a Co3O4-CoFe2O4@MWCNT bifunctional electrocatalyst for enhanced OER/HER performances.

Herein, we have prepared a mixed-phase Co3O4-CoFe2O4@MWCNT nanocomposite through a cheap, large-scale, and facile ultrasonication route followed by annealing. The structural, morphological, and functional group analyses of the synthesized catalysts were performed by employing various characterization approaches such as X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). The resultant samples were tested for bifunctional electrocatalytic activity through various electrochemical techniques: cyclic voltammetry (CV), linear sweep voltammetry (LSV), and electrochemical impedance spectroscopy (EIS). The prepared Co3O4-CoFe2O4@MWCNT nanocomposite achieved a very high current density of 100 mA cm-2 at a lower (290 mV and 342 mV) overpotential (vs. RHE) and a smaller (166 mV dec-1 and 138 mV dec-1) Tafel slope in the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), respectively, compared to Co3O4-CoFe2O4. The excellent electrochemical activity of the as-prepared electrocatalyst was attributed to the uniform incorporation of Co3O4-CoFe2O4 over MWCNTs which provides high redox active sites, a greater surface area, better conductivity, and faster charge mobility. Furthermore, the enhanced electrochemical active surface, low charge-transfer resistance (Rct), and higher exchange current density (J0) of the Co3O4-CoFe2O4@MWCNT ternary composite are attributed to its superior behavior as a bifunctional electrocatalyst. Conclusively, this study demonstrates a novel and large-scale synthesis approach for bifunctional electrocatalysts with a high aspect ratio and abundance of active sites for high-potential energy applications.

Application of poly aluminum chloride and alum as catalyst in catalytic ozonation process after coagulation for the treatment of textile wastewater.

Textile wastewater is ranked highly contaminated among all industrial waste. During textile processing, the consumption of dyes and complex chemicals at various stages makes textile industrial wastewater highly challenging. Therefore, conventional processes based on single-unit treatment may not be sufficient to comply with the environmental quality discharge standards and more stringent guidelines for zero discharge of hazardous chemicals (ZDHC). In this study, a novel approach was followed by recycling Poly aluminum chloride (PACl) and Alum as a catalyst for the first time in the catalytic ozonation treatment process leading to a nascent method after using them as a coagulant in Coagulation/Flocculation. In the current investigation, six different combinations were studied to remove turbidity, TSS, COD, BOD5, color, and biodegradability (BOD5/COD ratios) of wastewater. Moreover, Central Composite Design was implied using RSM in Minitab software. During the combination of treatment processes, it was found that the pre-coagulation/flocculation with coagulant PACl followed by post-catalytic ozonation with recycled PACl, a more effective treatment than others. The optimum R.E of turbidity, TSS, COD, and color were 84%, 86%, 89%, and 98%, respectively. Moreover, a decrease in toxicity and increase in biodegradability (BOD5/COD ratio from 0.29 to 0.54) was observed as well. The electrical energy demand and operational costs of treatment processes were estimated and compared with other treatment processes.

Electrode-Electrolyte Interactions in an Aqueous Aluminum-Carbon Rechargeable Battery System.

Being environmentally friendly, safe and easy to handle, aqueous electrolytes are of particular interest for next-generation electrochemical energy storage devices. When coupled with an abundant, recyclable and low-cost electrode material such as aluminum, the promise of a green and economically sustainable battery system has extraordinary appeal. In this work, we study the interaction of an aqueous electrolyte with an aluminum plate anode and various graphitic cathodes. Upon establishing the boundary conditions for optimal electrolyte performance, we find that a mesoporous reduced graphene oxide powder constitutes a better cathode material option than graphite flakes.

Activated Carbon from Palm Date Seeds for CO2 Capture.

The process of carbon dioxide capture and storage is seen as a critical strategy to mitigate the so-called greenhouse effect and the planetary climate changes associated with it. In this study, we investigated the CO2 adsorption capacity of various microporous carbon materials originating from palm date seeds (PDS) using green chemistry synthesis. The PDS was used as a precursor for the hydrochar and activated carbon (AC). Typically, by using the hydrothermal carbonization (HTC) process, we obtained a powder that was then subjected to an activation step using KOH, H3PO4 or CO2, thereby producing the activated HTC-PDS samples. Beyond their morphological and textural characteristics, we investigated the chemical composition and lattice ordering. Most PDS-derived powders have a high surface area (>1000 m2 g-1) and large micropore volume (>0.5 cm3 g-1). However, the defining characteristic for the maximal CO2 uptake (5.44 mmol g-1, by one of the alkaline activated samples) was the lattice restructuring that occurred. This work highlights the need to conduct structural and elemental analysis of carbon powders used as gas adsorbents and activated with chemicals that can produce graphite intercalation compounds.

Subcritical and supercritical water oxidation for dye decomposition.

The total annual output of synthetic dyes exceeds 7 × 105 tons. About 1,000 tons of non-biodegradable synthetic dyes are released every year into the natural streams and water sources from textile wastes. The release of these colored wastewater exerts negative impact on aquatic ecology and human beings because of the poisonous and carcinogenic repercussions of dyes involved in coloration production. Therefore, with a growing interest in the environment, efficient technologies need to be developed to eliminate dyes from local and industrial wastewater. Supercritical water oxidation as a promising wastewater treatment technology has many advantages, such as a rapid reaction and pollution-free products. However, due to corrosion, salt precipitation and operational problems, supercritical water oxidation process did not gain expected industrial development. These technical difficulties can be overcome by application of non-corrosive subcritical water as a reaction medium. This work summarizes the negative impacts of dyes and role of subcritical and supercritical water and their efficiencies in dye oxidation processes.

Cobalt ferrite supported on reduced graphene oxide as a T 2 contrast agent for magnetic resonance imaging.

Nanoscaled spinel-structured ferrites bear promise as next-generation contrast agents for magnetic resonance imaging. However, the small size of the particles commonly leads to colloidal instability under physiological conditions. To circumvent this problem, supports onto which the dispersed nanoparticles can be anchored have been proposed. Amongst these, flakes of graphene have shown interesting performance but it remains unknown if and how their surface texture and chemistry affect the magnetic properties and relaxation time (T 2) of the ferrite nanoparticles. Here, it is shown that the type of graphene oxide (GO) precursor, used to make composites of cobalt ferrite (CoFe2O4) and reduced GO, influences greatly not just the T 2 but also the average size, dispersion and magnetic behaviour of the grafted nanoparticles. Accordingly, and without compromising biocompatibility, a judicious choice of the initial GO precursor can result in the doubling of the proton relaxivity rate in this system.

Mesoporous Reduced Graphene Oxide as a High Capacity Cathode for Aluminum Batteries.

Research in the field of aluminum batteries has focused heavily on electrodes made of carbonaceous materials. Still, the capacities reported for these multivalent systems remain stubbornly low. It is believed that a high structural quality of graphitic carbons and/or specific surface areas of >1000 m2 g-1 are key factors to obtain optimal performance and cycling stability. Here an aluminum chloride battery is presented in which reduced graphene oxide (RGO) powder, dried under supercritical conditions, is used as the active cathode material and niobium foil as the current collector. With a specific surface area of just 364 m2 g-1 , the RGO enables a gravimetric capacity of 171 mAh g-1 at 100 mA g-1 and remarkable stability over a wide range of current densities (<15% decrease over 100 cycles in the interval 100-20000 mA g-1 ). These properties, up to now achieved only with much larger surface area materials, result from the cathode's tailored mesoporosity. The 20 nm wide mesopores facilitate the movement of the chloroaluminate ions through the RGO, effectively minimizing the inactive mass content of the electrode. This more than compensates for the ordinary micropore volume of the graphene powder.

A process to enhance the specific surface area and capacitance of hydrothermally reduced graphene oxide.

The impact of post-synthesis processing in reduced graphene oxide materials for supercapacitor electrodes has been analyzed. A comparative study of vacuum, freeze and critical point drying was carried out for hydrothermally reduced graphene oxide demonstrating that the optimization of the specific surface area and preservation of the porous network are critical to maximize its supercapacitance performance. As described below, using a supercritical fluid as the drying medium, unprecedented values of the specific surface area (364 m2 g-1) and supercapacitance (441 F g-1) for this class of materials have been achieved.