Abstract
The biosynthesis of silver nanoparticles (Ag NPs) has been studied in detail using two different approaches. For the first time,
Bacillus cereus
is used for one-pot biosynthesis of ...capsulated Ag NPs, using both intracellular and extracellular approaches. To discriminate between the produced nanostructures by these two approaches, their structures, nanomorphologies, optical properties, hydrodynamic sizes and zeta potentials are studied using different techniques. Fourier-transform infrared spectroscopy was used to identify the bioactive components responsible for the reduction of Ag
+
ions into Ag and the growth of stable Ag NPs. Scanning and transmission electron microscopy images displayed spherical and polygon nanomorphology for the intracellular and extracellular biosynthesized Ag NPs. For intracellular and extracellular biosynthesized Ag NPs, a face-centred cubic structure was observed, with average crystallite sizes of 45.4 and 90.8 nm, respectively. In comparison to the noncatalytic reduction test, the catalytic activities of intracellular and extracellular biosynthesized Ag NPs were explored for the reduction of highly concentrated MB dye solution. Extracellular Ag NPs achieved 100% MB reduction efficacy after around 80 min, compared to 50.6% and 24.1% in the presence and absence of intracellular Ag NPs, respectively. The rate of MB reduction was boosted by 22 times with the extracellular catalyst, and by 3 times with the intracellular catalyst. Therefore, the extracellular production process of Ag NPs utilizing
Bacillus cereus
bacteria might be applied in the industry as a cost-effective way for eliminating the toxic MB dye.
The discovery of highly active and cost-effective materials capable of catalyzing the oxygen evolution reaction (OER) is essential for water splitting. In the present study, we developed a new method ...for producing the structural components of advanced non-precious metal electrocatalysts NiS/CeS nanocomposite supported on stainless steel strip (SSS) represented as NiS/CeS/SSS that are both innovative and practical. To accomplish a current density of 10 mA cm
−2
, the NiS/CeS/SSS requires OER overpotential of 289 mV, which is smaller than the pure NiS/SSS (319 mV) and CeS/SSS (309 mV), and with enhanced stability of 40 h tested in 1.0 M KOH electrolyte. The higher efficiency of OER is due to the strong electrical contacts between NiS/SSS and CeS/SSS, the availability of active centers, and also the lower charge transfer resistance.
Treatment of produced water in oil fields has become a tough challenge for oil producers. Nanofiltration, a promising method for water treatment, has been proposed as a solution. The phase inversion ...technique was used for the synthesis of nanofiltration membranes of polyethersulfone embedded with graphene oxide nanoparticles and polyethersulfone embedded with titanium nanoribbons. As a realistic situation, water samples taken from the oil field were filtered using synthetic membranes at an operating pressure of 0.3 MPa. Physiochemical properties such as water flux, membrane morphology, flux recovery ratio, pore size and hydrophilicity were investigated. Additionally, filtration efficiency for removal of constituent ions, oil traces in water removal, and fouling tendency were evaluated. The constituent ions of produced water act as the scaling agent which threatens the blocking of the reservoir bores of the disposal wells. Adding graphene oxide (GO) and titanium nanoribbons (TNR) to polyethersulfone (PES) enhanced filtration efficiency, water flux, and anti-fouling properties while also boosting hydrophilicity and porosity. The PES-0.7GO membrane has the best filtering performance, followed by the PES-0.7TNR and pure-PES membranes, with chloride salt rejection rates of 81%, 78%, and 35%; oil rejection rates of 88%, 85%, and 71%; and water fluxes of 85, 82, and 42.5 kg/m2 h, respectively. Because of its higher hydrophilicity and physicochemical qualities, the PES-0.7GO membrane outperformed the PES-0.7TNR membrane. Nanofiltration membranes embedded with nanomaterial described in this work revealed encouraging long-term performance for oil-in-water trace separation and scaling agent removal.
A Series of four end-capped tailored dithieno2,3-d:2ʹ,3ʹ-dʹ-benzo1,2-b:4,5-bʹ dithiophene (
DTBDT
) core-based donor chromophores (
Z1–Z4
) are designed with the purpose to enhance PCE of organic ...solar cells. The photophysical and optoelectronic properties of
Z1–Z4
topologies are investigated through Quantum chemical simulation. Density functional theory (DFT) with time-dependent density functional theory (TD-DFT) analysis has been implemented to investigate the effect of side chain substitution (A2) on several parameters such as the density of states, frontier molecular orbitals, transition density matrix, binding energy (E
b
), molecular electrostatic potential analysis, dipole moment (µ), open circuit voltage (V
OC
) and PCE at low energy state geometries. All the designed molecules (
Z1–Z4)
are scaled up with reference molecule (
ZR1-Cl)
, which concludes that the end-capped acceptor tailoring approach effectively enhanced the molar absorption (λ
max
) of all these designed molecules. Among all molecules,
Z3
has shown better absorption properties with a red shift in absorption having λ
max
at 750 nm in CHCl
3
solvent and narrow band gap (1.97 eV) with least excitation energy (E
opt
) of 1.65 eV.
Z3
also exhibits low exciton binding energy (E
b
= 0.32 eV). Moreover,
Z1
has excellent charge mobilities owing to the lowest hole mobility (λ
h
= 0.0078) and electron mobility (λ
e
= 0.0088). Among all
Z1
has an elevated value of V
OC
and PCE accountable for more efficient photovoltaic properties. Thus, the results endorsed these molded molecules as a possible choice for designing highly efficient OSCs.
Graphical abstract
The current research elucidates the nuclear shielding capacity of germinate tellurite glasses: 41.7GeO
2
-41.7TeO
2
-16.6Ga
2
O
3
, 37.5GeO
2
-62.5TeO
2
, 10.4GeO
2
-72.9TeO
2
-16.7Ga
2
O
3
and ...12.5GeO
2
-87.5TeO
2
. Gamma-ray photon, fast neutron and electron shielding parameters of the present glassy materials were evaluated and studied via the Geant4 Monte Carlo, Phy-X/PSD software, ESTAR and analytic computations. In addition, Makishima-Mackenzie's theory was applied to assess the elastic properties of the studied tellurite glass system containing Ga
2
O
3
and/or GeO
2
. The effective atomic number of the glasses varies from 19.14 to 44.08 for 41.7GeO
2
-41.7TeO
2
-16.6Ga
2
O
3
, 20.63-48.02 for 37.5GeO
2
-62.5TeO
2
, 21.15-48.15 for 10.4GeO
2
-72.9TeO
2
-16.7Ga
2
O
3
and 22.42-50.29 for 12.5GeO
2
-87.5TeO
2
. The obtained fast neutron removal cross sections of the glasses were 0.0991, 0.0966, 0.1024 and 0.1021 cm
−1
, respectively, for 41.7GeO
2
-41.7TeO
2
-16.6Ga
2
O
3
, 37.5GeO
2
-62.5TeO
2
, 10.4GeO
2
-72.9TeO
2
-16.7Ga
2
O
3
and 12.5GeO
2
-87.5TeO
2
. Also, an equilibrium is reached between total stopping power (TSP) due to radiation and collision for electrons at energy T = 1.0 MeV where the TSP was minimum in the investigated glasses. Computed Young's modulus for 37.5GeO
2
-62.5TeO
2
was the lowest with a value of 0.218 GPa while the other three glass samples have almost equal value of 0.226 GPa. The present glasses' shielding ability outclassed some conventional shields, hence have potential for radiation safety/shielding purposes in nuclear facilities.
•Co1-xZn1.5xFeO3 was synthesized via auto-combustion sol–gel approach.•Physico-chemical and photocatalytic properties were studied.•Zn doping affected the Co1-xZn1.5xFeO3 properties significantly.•Zn ...doping is promising for harvesting solar light for photocatalytic activities.
Zn doped cobalt perovskites Co1-xZn1.5xFeO3 (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) nanoparticles were fabricated via auto-combustion sol–gel approach. The Zn doping effect was investigated based on the basis of structural, morphological, dielectric, electrochemical and photocatalytic properties. As-fabricated series of Co1-xZn1.5xFeO3 were characterized by XRD (X-ray powder diffraction), SEM (scanning electron microscopy), FTIR (Fourier transform infrared) and UV–visible techniques along with dielectric properties. The orthorhombic phase of Co1-xZn1.5xFeO3 was obtained in the particle size range of 8–22 nm. Morphological analysis revealed the rod shape scattered particles of Co1-xZn1.5xFeO3. The dielectric loss, dielectric constant and tangent loss were decreased at higher frequency and effect of Zn doping was significant on the dielectric properties. The AC conductivity of Co1-xZn1.5xFeO3 was also affected as a function of Zn contents, which increased with the Zn contents. The specific capacitance of 132 Fg−1 was observed. The Zn contents revealed a significant effect on the band gap energy of Co1-xZn1.5xFeO3, which is promising for photocatalytic application. The PCA (photocatalytic activity) was performed by degrading MO (methyl orange) dye and 69% removal was attained within 45 min under solar light irradiation. The results depicted that cobalt perovskites properties can be enhanced by Zn doping for different applications.
Tb
3+
-doped sodium-silicate glasses, chemically defined as (73.2SiO
2
-15.3Na
2
O-6MgO-2ZnO- 3.5CaO)
1-x
-(TbF
3
)
x
for x = 0, 5, 7, 9, 11, 13, and 15 wt%) were theoretically investigated for their ...radiation shielding and dosimetry potentials. The photon interaction parameters were estimated using the NIST-XCOM computational tool. The obtained results showed that the attenuation coefficient of the sodium-silicate glasses decreased from 7.2062 to 0.0210 cm
2
/g for x = 0, 10.5553 to 0.0221 cm
2
/g for x = 5 mol%, 11.8949 to 0.0225-cm
2
/g for x = 7 mol%,, 13.2346 to 0.0229cm
2
/g for x = 9 mol%, 14.5742 to 0.0233 cm
2
/g for x = 11 mol%, 15.9138 to 0.0238 cm
2
/g for x = 13 mol%, and 17.2534 to 0.0242 cm
2
/g for the x = 15 mol% sample, respectively, for γ-photon energy increase from 15 to 15,000 keV. For the same sample order, the mass energy absorption coefficient varied from 0.0161 to 7.4884, 0.0167 to 10.5009, 0.0169 to 11.7058, 0.0171 to 12.9108, 0.0174 to 14.1158, 0.0176 to 15.3208, and 0.0176 to 16.52582 cm
2
/g. The effective atomic number changed from 10.49 to 24.04, 10.62 to 27.69, 10.74 to 30.84, 10.87 to 33.57, 11.01 to 35.97, 11.15 to 38.10 for SNMZCT2, SNMZCT3, SNMZCT4, SNMZCT5, SNMZCT6, SNMZCT7, respectively. The minimum specific gamma constants for the investigated samples were obtained at 0.2 MeV with values of 5.435 Rm
2
/Cih, 6.102 Rm
2
/Cih, 6.770 Rm
2
/Cih, 7.437 Rm
2
/Cih and 8.772 Rm
2
/Cih for SNMZCT2, SNMZCT3, SNMZCT4, SNMZCT5, SNMZCT6 and SNMZCT7, respectively. Using the geometric fitting method, the computed buildup factors show significant variation with energy of incident gamma photons, number of glass mean free path (mfp), and the chemical composition (i.e., TbF
3
content) of the glasses. Increasing the molar concentration of TbF
3
in the glass system improves its photon shielding abilities and suppresses photon scattering in the glasses.
Nanofiltration methods were used and evaluated for strontium removal from wastewater. The phase inversion method was used to create a variety of polyethersulfone (PES)/TiO
nanoribbons ...(TNRs)-multi-walled carbon nanotubes (MWCNTs) membranes with varied ratios of TNR-MWCNT nanocomposite. The hydrothermal technique was applied to synthesize the nanocomposite (TNRs-MWCNTs), which was then followed by chemical vapor deposition (CVD). The synthesized membranes were characterized by scanning electron microscopy (SEM), transmission electron microscopy, and FTIR. TNR macrovoids are employed as a support for the MWCNT growth catalyst, resulting in a TNR-MWCNT network composite. The hydrophilicity, mechanical properties, porosity, filtration efficiency of the strontium-containing samples, water flux, and fouling tendency were used to assess the performance of the synthesized membranes. The effect of feed water temperature on water flux was investigated as well as its effect on salt rejection. As the temperature increased from 30 to 90 °C, the salt rejection decreased from 96.6 to 82% for the optimized 0.7 PES/TNR-MWCNT membrane, whereas the water flux increased to ≈150 kg/m
. h. Double successive filtration was evaluated for its high efficiency of 1000 ppm strontium removal, which reached 82.4%.
•This work explains the first-principles computational inquiry physical features of BWF3 (W = S and Si) halide-Perovskites compounds. With the aid of the WIEN2K code, our recent computation solely ...relies on Density Functional Theory (DFT). Using the equation of states made by Birch Murnaghan for optimization. The elastic factors are figure out and used to compute elastic characteristics, we found that both composites are structurally as well elastically stable. These substances exhibit strong resistance to plastic strain and are show ductility, scratch-resistant and anisotropic. These chemicals exhibit strong absorption at high energy ranges. The compound BSF3 is transparent to incoming photons at low energies, while the complex BSiF3 is opaque. We have come to the conclusion that the compounds BSF3 and BSiF3 can be employed for high-frequency UV device applications as a result of our study into their optical properties.
This work explains the first-principle computational inquiry of physical features of BWF3 (W = S and Si) halide-Perovskites compounds. With the aid of the WIEN2K code, our recent computation solely relies on Density Functional Theory (DFT). Using the equation of states made by Birch Murnaghan for optimization. The elastic factors are figure out and used to compute elastic characteristics, we found that both composites are structurally as well elastically stable. These substances exhibit strong resistance to plastic strain and are show ductility, scratch-resistant and anisotropic. BSF3 and BSiF3 are both metal-like substances, according to calculations made using the Tb-mBJ) potential approach. Density of states calculations are recycled to conclude how different energy states are involved in band structures. These compounds' band gap energies make it simple to study various optical characteristics. These chemicals exhibit strong absorption at high energy ranges. The compound BSF3 is transparent to incoming photons at low energies, while the complex BSiF3 is opaque. We have come to the conclusion that the compounds BSF3 and BSiF3 can be employed for high-frequency UV device applications as a result of our study into their optical properties. For the first time, our computational effort is calculated to investigate these substances that have not yet been experimentally proven to our satisfaction.
A quartz crystal adsorbent functionalized with two promising porphyrins (the 5,10,15,20-tetrakis(4-tolylphenyl)porphyrin and the 5,10,15,20-tetraphenylporphyrin) was applied for the investigation of ...the adsorption phenomenon of aluminum chloride, iron chloride, and indium chloride. The aim is to prove new insights about the appropriate adsorption materials for metalloporphyrin fabrication. The equilibrium isotherms were measured at five adsorption temperatures (from 290 to 330 K) through the microbalance (QCM) method. The discussion of the experimental observations indicated that the adsorption of the aluminum chloride and the iron chloride was performed via a monolayer process. On contrary, the participation of the chloride ions in the double-layer adsorption of the indium chloride was explained by the layer-by-layer process. Overall, the statistical physics modeling of the experimental curves indicated that the number of ions per adsorbent site n was found inferior to 1 for all the adsorption systems (multi-interaction process for the three ions). Interestingly, the physicochemical investigation of the three adopted models showed that the complexation mechanism of the tested porphyrins was an endothermic process since the two steric parameters (n and PM) increased with the rise of the temperature. The FeCl3 curves were discussed via a monolayer adsorption model which includes the parameters a and b (lateral interaction description), indicating the lowest stability of the formed iron-porphyrin complex. The energetic study showed that the adsorption energies ∣−ΔE1/2∣ of AlCl3 on H2TTPP and H2TPP are superior to 40 kJ/mol (chemical adsorption mechanism), whereas the adsorption mechanisms of FeCl3 and InCl3 took place via a physical process since they presented adsorption energy values lower than 40 kJ/mol.
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