Structural analysis and characterization of date palm fiber-based low-cost carbon nanotubes and nanostructured powder activated carbon.

The structural properties and characteristics of date palm fiber-based low-cost carbon nanotubes (CNTs) and nanostructured powder activated carbon (DP-NPAC) are investigated. The DP-NPAC and CNTs are prepared using an environmentally friendly method, and characterized and analyzed using field emission-scanning electron microscopy (FESEM), transmission electron microscopy (TEM), and X-ray diffraction (XRD). The results have showed that both DP-NPAC and CNTs possess crystallite structure, nano-scale, high capacity, cost-effective for multi-application that make them efficient for future fabrication and manufacturing. It is supposed that DP-NPAC biomass is to be used as potential and cost-effective precursor for synthesized CNTs.

Synthesis, Characterization, and DFT Calculations of a New Sulfamethoxazole Schiff Base and Its Metal Complexes.

A new Schiff base, 4-((1E,2E)-3-(furan-2-yl)allylidene)amino)-N-(5-methylisoxazol-3-yl) benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl)acrolein and sulfamethoxazole (SMX), and the furan Schiff base (L) was converted to a phenol Schiff base (L') according to the Diels-Alder [4 + 2] cycloaddition reaction and studied experimentally. The structural and spectroscopic properties of the Schiff base were also corroborated by utilizing density functional theory (DFT) calculations. Furthermore, a series of lanthanide and transition metal complexes of the Schiff base were synthesized from the nitrate salts of Gd, Sm, Nd, and Zn (L1, L2, L3, and L4), respectively. Various spectroscopic studies confirmed the chemical structures of the Schiff-base ligand and its complexes. Based on the spectral studies, a nine-coordinated geometry was assigned to the lanthanide complexes and a six-coordinated geometry to the zinc complex. The elemental analysis data confirmed the suggested structure of the metal complexes, and the TGA studies confirmed the presence of one coordinated water molecule in the lanthanide complexes and one crystalline water molecule in the zinc complex; in addition, the conductivity showed the neutral nature of the complexes. Therefore, it is suggested that the ligand acts as a bidentate through coordinates to each metal atom by the isoxazole nitrogen and oxygen atoms of the sulfur dioxide moiety of the SMX based on FTIR studies. The ligand and its complexes were tested for their anti-inflammatory, anti-hemolytic, and antioxidant activities by various colorimetric methods. These complexes were found to exhibit potential effects of the selected biological activities.

A review of piezoelectric MEMS sensors and actuators for gas detection application.

Piezoelectric microelectromechanical system (piezo-MEMS)-based mass sensors including the piezoelectric microcantilevers, surface acoustic waves (SAW), quartz crystal microbalance (QCM), piezoelectric micromachined ultrasonic transducer (PMUT), and film bulk acoustic wave resonators (FBAR) are highlighted as suitable candidates for highly sensitive gas detection application. This paper presents the piezo-MEMS gas sensors' characteristics such as their miniaturized structure, the capability of integration with readout circuit, and fabrication feasibility using multiuser technologies. The development of the piezoelectric MEMS gas sensors is investigated for the application of low-level concentration gas molecules detection. In this work, the various types of gas sensors based on piezoelectricity are investigated extensively including their operating principle, besides their material parameters as well as the critical design parameters, the device structures, and their sensing materials including the polymers, carbon, metal-organic framework, and graphene.

Erratum: Synthesis, Characterization, and Analysis of Hybrid Carbon Nanotubes by Chemical Vapor Deposition: Application for Aluminum Removal. Polymers 2020, 12, 1305.

The authors wish to make a change to the published paper [...].

Synthesis, Characterization, and Analysis of Hybrid Carbon Nanotubes by Chemical Vapor Deposition: Application for Aluminum Removal.

Hybrid carbon nanotubes (CNTs) are grown on biomass powder-activated carbon (bio-PAC) by loading iron nanoparticles (Fe) as catalyst templates using chemical vapor deposition (CVD) and using acetylene as carbon source, under specific conditions as reaction temperature, time, and gas ratio that are 550 °C, 47 min, and 1, respectively. Specifications of hybrid CNTs were analyzed and characterized using field emission scanning electron microscope (FESEM) with energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopic (TEM), Fourier-transform infrared (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), surface area Brunauer-Emmett-Teller (BET), and zeta potential. The results revealed the high quality and unique morphologies of hybrid CNTs. Furthermore, removal and capacity of Al3+ were optimized by response surface methodology (RSM). However, the results revealed that the pseudo-second-order model well represented adsorption kinetic data, while the isotherm data were effectively fitted using a Freundlich model. The maximum adsorption capacity was 347.88 mg/g. It could be concluded that synthesized hybrid CNTs are a new cost-effective and promising adsorbent for removing Al3+ ion from wastewater.

Electronic structure and optical properties of the dialkali metal monotelluride compounds: Ab initio study.

Structural parameters, electronic structure and optical properties of the dialkali metal monotelluride M2Te (M = Li, Na, K and Rb) compounds in the cubic antifluorite structure were investigated via ab initio calculations using the all electron linearized augmented plane wave approach based on density functional theory with and without including spin-orbit coupling (SOC). The exchange-correlation interactions were described within the PBEsol version of the generalized gradient approximation and Tran-Blaha modified Becke-Johnson potential (TB-mBJ). Optimized equilibrium lattice parameters are in excellent accordance with existing measured ones. Computed energy band dispersions show that the studied compounds are large band gap materials. Inclusion of SOC reduces the band gap value compared to the corresponding one calculated without including SOC. Determination of the energy band character and interatomic bonding nature are performed using the densities of states diagrams and charge density distribution map. Linear optical function spectra are predicted for a wide energy range and the origin of the dielectric function spectrum peaks are determined.

Effect of Temperature on the Physical, Electro-Chemical and Adsorption Properties of Carbon Micro-Spheres Using Hydrothermal Carbonization Process.

This research deals with the effect of the temperature on the physical, thermal, electrochemical, and adsorption properties of the carbon micro-spheres using hydrothermal carbonization (HTC). Until recently, limited research has been conducted regarding the effects of delignification during the HTC process of biomass residues especially Dimocarpus longan. In this regard, lignin was first extracted from the lingo-cellulosic waste of Longan fruit peel (Dimocarpus longan). The holocellulose (HC) separated from lignin and raw biomass substrates (Longan fruit exocarp/peel powder, LFP) were carbonized at different temperatures using water as the green catalyst. Hydrothermal carbonization (HTC) was performed for both of the samples (LFP and HC) at 200 °C, 250 °C, and 300 °C for 24 h each. The surface morphological structures, the porosity, and the Brunauer-Emmett-Teller (BET) surface area of the prepared micro-spherical carbon were determined. The BET surface areas obtained for HC-based carbon samples were lower than that of the raw LFP based carbon samples. The carbon obtained was characterized using ultimate and proximate analyses. The surface morphological features and phase transformation of the synthesized micro-spherical carbon was characterized by a field-emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD) analysis. The results demonstrated that the extraction of lignin could significantly alter the end properties of the synthesized carbon sample. The carbon spheres derived from LFP showed a higher carbon content than the HC-based carbon. The absence of lignin in the holo-cellulose (HC) made it easy to disintegrate in comparison to the raw, LFP-based carbon samples during the HTC process. The carbonaceous samples (LFP-300 and HC-300) prepared at 300 °C were selected and their adsorption performance for Pb (II) cations was observed using Langmuir, Freundlich, and Temkin linear isotherm models. At 30 °C, the equilibrium data followed the Langmuir isotherm model more than the Freundlich and Temkin model for both the LFP-300 sample and the HC-300 sample. The potential of the synthesized carbon microspheres were further analyzed by thermodynamic characterizations of the adsorption equilibrium system.

Synthesis of carbon-based quantum dots from starch extracts: Optical investigations.

Carbon-based quantum dots (C-QDs) were synthesized through microwave-assisted carbonization of an aqueous starch suspension mediated by sulphuric and phosphoric acids. The as-prepared C-QDs showed blue, green and yellow luminescence without the addition of any surface-passivating agent. The C-QDs were further analyzed by UV-vis spectroscopy to measure the optical response of the organic compound. The energy gaps revealed narrow sizing of C-QDs in the semiconductor range. The optical refractive index and dielectric constant were investigated. The C-QDs size distribution was characterized. The results suggested an easy route to the large scale production of C-QDs materials.

Optoelectronic properties of naphtho[2, 1-b:6, 5-b']difuran derivatives for photovoltaic application: a computational study.

Some important optoelectronic properties of naphtho[2,1-b:6,5-b']difuran (DPNDF) and its two derivatives have been limelighted by applying the density functional theory (DFT). Due to their low cost, high stability and earth abundance, the DPNDF and its derivatives are considered as potential organic semiconductor materials for their optoelectronics applications. Highly proficient derivatives are obtained systematically by attaching -CN (cyanide) to DPNDF at various sites. Our calculations indicate that DPNDF has a wide and direct band gap with an energy gap of 3.157 eV. Whereas the band gaps of its derivatives are found to be decreased by 88 meV for derivative "a" and 300 meV for derivative "b" as a consequence of p orbitals present in C and N atoms in derivative structures. The narrowing of the energy gap and density of states for the derivatives of DPNDF in the present investigation suggest that energy gap can be engineered for desirable optoelectronic applications via derivatives designing. Furthermore, their obtained results for optical parameters such as the dielectric and conductivity functions, reflectivity, refractive index, and the extinction coefficients endorses their aptness for optoelectronic applications. Graphical Abstract Real part of dielectric function for derivative "b".

Physicochemical characterization of sewage sludge and green waste for agricultural utilization.

In order to valorize the organic wastes, a mixture composed of 60 kg of thick sewage sludge from a wastewater treatment plant, 30 kg of green wastes (made of 10 kg straw of wheat, 10 kg manure farm wastes, and 10 kg of dead leaves), and 10 kg of wood chips was prepared. The organic wastes were mixed and put into a wooden cubic composter having a volume of 1.5 m3. Physicochemical analyses were made every 30 days for five months. The results of the analyses showed that the obtained compost had good physicochemical quality and can be used as an organic fertilizer. The main characteristics of this compost were distinguished by its pH from 7.4 to 7.8, with a ratio of organic matter of 40-42%. During composting, the humification process led to an increase in humic acids from 29.5 to 39.1 mg g(-1), a decrease in fulvic acids from 32.1 to 10.9 mg g(-1), and a global decomposition of hemicellulose, cellulose, and lignin. The obtained results show that a period of 150 days of composting gave a C/N ratio of 15.4. The total metal content in the final compost was much lower than the standard toxic levels for composts to be used as good soil fertilizers. The germination index for the two plants Cicer arietinum and Hordeum vulgare was 93% after the same period of composting, showing that the final compost was not phytotoxic. The study showed the possibility of valorization of the compost and its possible use in the domain of agriculture.

An ab initio density functional study of the optical functions of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystals.

An ab initio investigation of the optical constants of 9-Methyl-3-Thiophen-2-YI-Thieno [3,2e] [1,2,4] Thriazolo [4,3c] Pyrimidine-8-Carboxylic Acid Ethyl Ester crystal is performed within a framework of local density approximation (LDA), and the Engel-Vosko generalized gradient approximation (EV-GGA) exchange correlation potentials. It is established that there are two independent molecules (A and B) exhibiting different intra-molecular interactions: C-H⋯O (A) and C-H⋯N (B). These intra-molecular interactions favor stabilization of the crystal structure for molecules A and B. It should be emphasized that there exist remarkable π-π interactions between the pyrimidine rings of the two neighbors B molecules giving extra strengths and stabilizations to the superamolecular structure. These different intra-molecular interactions C-H⋯O (A) and C-H⋯N (B) and the π-π interaction between the pyrimidine rings of the two neighbors B molecules give principal contribution to dispersion of optical properties. With a view to seek deeper insight into the electronic structure, the optical properties were investigated. Our calculations show that the optical constants are very anisotropic. The EVGGA calculation shows a blue spectral shift of around 0.024 eV with significant changes in the spectra compared to the LDA calculation. The observed spectral shifts are in agreement with the calculated band structure and corresponding electron density of states.