Mohammed J. Al-Marri

A comprehensive review of electrocoagulation for water treatment: Potentials and challenges

Electrocoagulation is an effective electrochemical approach for the treatment of different types of contaminated water and has received considerable attention in recent years due its high efficiency in dealing with numerous stubborn pollutants. It has been successful in dealing with organic and inorganic contaminants with negligible or almost no generation of by-product wastes. During the past decade, vast amount of research has been devoted to utilizing electrocoagulation for the treatment of several types of wastewater, ranging from polluted groundwater to highly contaminated refinery wastewater. This paper offers a comprehensive review of recent literature that has been dedicated to utilizing electrocoagulation for water treatment, focusing on current successes on specific applications in water and wastewater treatment, as well as potentials for future applications. The paper examines such aspects as theory, potential applications, current challenges, recent developments as well as economical concerns associated with the technology. Most of the recent EC research has been focusing on pollutant-specific evaluation without paying attention to cell design, process modeling or industrial applications. This review attempts to highlight the main achievements in the area and outlines the major shortcomings with recommendations for promising research options that can enhance the technology and broaden its range of applications.

Photo-stability of CsPbBr3 perovskite quantum dots for optoelectronic application

Due to their superior photoluminescence (PL) quantum yield (QY) and tunable optical band gap, all-inorganic CsPbBr3 perovskite quantum dots (QDs) have attracted intensive attention for the application in solar cells, light emitting diodes (LED), photodetectors and laser devices. In this scenario, the stability of such materials becomes a critical factor to be revealed. We hereby investigated the long-termstability of as-synthesized CsPbBr3 QDs suspended in toluene at various environmental conditions. We found light illumination would induce drastic photo-degradation of CsPbBr3QDs. The steady-state spectroscopy, transmission electron microscopy (TEM), and X-ray diffraction (XRD) verified that CsPbBr3 QDs tend to aggregate to form larger particles under continuous light soaking. In addition, decreasing PL QY of the QDs during light soaking indicates the formation of trap sites. Our work reveals that the main origin of instability in CsPbBr3 QDs and provides reference to engineer such QDs towards optimal device application.摘要全无机CsPbBr3钙钛矿量子点因其优异的发光性能, 而在太阳能电池、发光二极管、光探头和激光器件等应用研究领域受到广泛关注. 基于此, 我们研究了CsPbBr3钙钛矿量子点在不同光照、气氛和温度条件下的稳定性. 光照下, 量子点表面缺陷态的产生和量子点的聚集促使量子点的发光效率降低, 吸收和发光光谱发生红移. 透射电子显微镜和X-光单晶衍射实验结果表明, 在光照下量子点发生了聚集进而形成了大尺寸的晶体. 我们的工作表明光照是影响CsPbBr3钙钛矿量子点稳定性的决定性因素, 因此需要改善其光稳定性从而优化CsPbBr3钙钛矿量子点光电器件性能.

Multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) approach to the correlated exciton-vibrational dynamics in the FMO complex

The coupled quantum dynamics of excitonic and vibrational degrees of freedom is investigated for high-dimensional models of the Fenna-Matthews-Olson complex. This includes a seven- and an eight-site model with 518 and 592 harmonic vibrational modes, respectively. The coupling between local electronic transitions and vibrations is described within the Huang-Rhys model using parameters that are obtained by discretization of an experimental spectral density. Different pathways of excitation energy flow are analyzed in terms of the reduced one-exciton density matrix, focussing on the role of vibrational and vibronic excitations. Distinct features due to both competing time scales of vibrational and exciton motion and vibronically assisted transfer are observed. The question of the effect of initial state preparation is addressed by comparing the case of an instantaneous Franck-Condon excitation at a single site with that of a laser field excitation.

Size- and Wavelength-Dependent Two-Photon Absorption Cross-Section of CsPbBr3 Perovskite Quantum Dots

All-inorganic colloidal perovskite quantum dots (QDs) based on cesium, lead, and halide have recently emerged as promising light emitting materials. CsPbBr3 QDs have also been demonstrated as stable two-photon-pumped lasing medium. However, the reported two photon absorption (TPA) cross sections for these QDs differ by an order of magnitude. Here we present an in-depth study of the TPA properties of CsPbBr3 QDs with mean size ranging from 4.6 to 11.4 nm. By using femtosecond transient absorption (TA) spectroscopy we found that TPA cross section is proportional to the linear one photon absorption. The TPA cross section follows a power law dependence on QDs size with exponent 3.3 ± 0.2. The empirically obtained power-law dependence suggests that the TPA process through a virtual state populates exciton band states. The revealed power-law dependence and the understanding of TPA process are important for developing high performance nonlinear optical devices based on CsPbBr3 nanocrystals.

Optimization of selection of chain amine scrubbers for CO2 capture

In order to optimize the selection of a suitable amine molecule for CO2 scrubbers, a series of ab initio calculations were performed at the B3LYP/6-31+G(d,p) level of theory. Diethylenetriamine was used as a simple chain amine. Methyl and hydroxyl groups served as examples of electron donors, and electron withdrawing groups like trifluoromethyl and nitro substituents were also evaluated. Interaction distances and binding energies were employed as comparison operators. Moreover, natural bond orbital (NBO) analysis, namely the second order perturbation approach, was applied to determine whether the amine–CO2 interaction is chemical or physical. Different sizes of substituents affect the capture ability of diethylenetriamine. For instance, trifluoromethyl shields the nitrogen atom to which it attaches from the interaction with CO2. The results presented here provide a means of optimizing the choice of amine molecules for developing new amine scrubbers.

Flocculation and viscoelastic behavior of industrial papermaking suspensions

The effects of the surface charge type and density C496, C492 and A130LMW polyacrylamides (PAMs) on the rheological behavior of real industrial papermaking suspensions were quantitatively related to the degree of flocculation for the same industrial papermaking suspensions. The floc sizes were larger but less dense when anionic PAM was used, and this due to the repulsive forces between the anionic PAM and colloidal particles, leading to the development of open structure flocs of less density. On the other hand, rheological measurements showed that the papermaking suspension is thixotropic with a measurable yield stress. The results showed that the magnitude of the critical stress, τc, complex viscosity, η*, elastic modulus, G′, and viscous modulus, G″, depend on the number of interactions between the PAM chains and particle surface and the strength of those interactions. Cationic PAM showed higher values of η*, G′, G″ and τc compared to anionic PAM. This behavior is in good agreement with Bingham yield stress, τB, adsorption and effective floc density results. Similar to oscillatory measurements, creep measurements also showed that the deformation was much lower for the cationic PAM based suspensions than for the anionic PAM based suspensions. Furthermore, the results revealed that increasing the cationic PAM surface charge decreases the floc size but increases the adsorption rate, elasticity and effective floc density proposing differences in the floc structures, which are not revealed clearly in the Bingham yield stress measurements.

PdZn nanoparticle electrocatalysts synthesized by solution combustion for methanol oxidation reaction in an alkaline medium

Herein, we report the synthesis of PdZn nanoparticle (NP) electrocatalysts for the methanol oxidation reaction (MOR). The PdZn NPs were synthesized by solution combustion synthesis in the presence of Pd(NO3)2·xH2O, Zn(NO3)2·6H2O and glycine in H2O, where glycine acted as a fuel. In this synthesis, the glycine amount was varied with a fixed stoichiometric ratio of Pd- and Zn-precursors at 1 : 1 to obtain two electrocatalysts (PdZn/C) of fuel-high (glycine to metal nitrate ratio = 1.75), PdZn/C (1.75) and fuel-low (glycine to metal nitrate ratio = 0.5), PdZn/C (0.5). The NPs were characterized by X-ray diffractometry, transmission electron microscopy and scanning electron microscopy for the crystallite size, morphology and elemental composition of the electrocatalysts. High-angle annular dark-field-scanning transmission electron microscopy coupled to energy dispersive X-ray spectroscopy was used to obtain the elemental distribution maps of the aggregated NPs, which confirmed the NPs with Pd and Zn in the alloyed state. X-ray photoelectron spectroscopy was performed to analyze the electronic structures of the elements in the samples. The NPs were then applied in the electrocatalysis for MOR in an alkaline medium. We found that PdZn/C showed an improved electrocatalytic activity by a factor of ∼1.4–1.9 in comparison with Pd/C synthesized using the same method. The MOR on PdZn/C (1.75) began at an earlier onset potential and higher current density than for Pd/C and PdZn/C (0.5). Stability tests were performed by chronoamperometry on PdZn/C and Pd/C, and the results showed a higher stability of PdZn/C (1.75) compared to PdZn/C (0.5) and Pd/C. The fuel amount affected the NP sizes, reaction yield and electrocatalytic properties.

An Experimental and Kinetic Study of the Sorption of Carbon Dioxide onto Amine-Treated Oil Fly Ash

A new CO2 adsorbent is produced from waste oil fly ash (OFA). Ammonium hydroxide solution is used to convert OFA to activated carbon. Then, the product is used for the adsorption of CO2 from a nitrogen/carbon dioxide (N2/CO2) gas mixture. The OFA samples are characterized by several techniques. Chemical treatment of OFA considerably changed its surface morphology. In particular, its surface area, as determined by BET measurements, increased from 59 to 318 m2/g. The amine-functionalized ash had a monolayer adsorption capacity of 74.51 mg/g and was obtained at relative pressure, . A kinetics study showed that the CO2 adsorption capacity of OFA increased with increasing CO2 flow rates and concentrations and decreasing the relative humidity. Unlike physical adsorption, the chemisorption process resulted in increased adsorption capacity with increasing temperatures over the range 0–40°C. We also found that the adsorption process was endothermic (80–173 kJ/mol). The isotherm data for the adsorption process were fitted using different models. The saturation capacity determined from the Sips model, which corresponds to the sum of the saturation capacities of all of the adsorbed layers, was 540.3 mg/g of ash.

Optimized Long-Range Corrected Density Functionals for Electronic and Optical Properties of Bare and Ligated CdSe Quantum Dots

The reliable prediction of optical and fundamental gaps of finite size systems using density functional theory requires to account for the potential self-interaction error, which is notorious for degrading the description of charge transfer transitions. One solution is provided by parametrized long-range corrected functionals such as LC-BLYP, which can be tuned such as to describe certain properties of the particular system at hand. Here, bare and 3-mercaptoprotionic acid covered Cd33Se33 quantum dots are investigated using the optimally tuned LC-BLYP functional. The range separation parameter, which determines the switching on of the exact exchange contribution, is found to be 0.12 bohr-1 and 0.09 bohr-1 for the bare and covered quantum dot, respectively. It is shown that density functional optimization indeed yields optical and fundamental gaps and thus exciton binding energies, considerably different compared with standard functionals such as the popular PBE and B3LYP ones. This holds true, despite the well established fact that the leading transitions are localized on the quantum dot and do not show pronounced long-range charge transfer character.

The effect of site-specific spectral densities on the high-dimensional exciton-vibrational dynamics in the FMO complex

The coupled exciton-vibrational dynamics of a three-site model of the FMO complex is investigated using the Multi-layer Multiconfiguration Time-dependent Hartree (ML-MCTDH) approach. Emphasis is put on the effect of the spectral density on the exciton state populations as well as on the vibrational and vibronic non-equilibrium excitations. Models which use either a single or site-specific spectral densities are contrasted to a spectral density adapted from experiment. For the transfer efficiency, the total integrated Huang-Rhys factor is found to be more important than details of the spectral distributions. However, the latter are relevant for the obtained non-equilibrium vibrational and vibronic distributions and thus influence the actual pattern of population relaxation.