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Home > Fabrication and Characterization of Ago, Sno2 and Tio2 Nanoparticles for Multiple Applications

Fabrication and Characterization of Ago, Sno2 and Tio2 Nanoparticles for Multiple Applications

Thesis Info

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Author

Haq, Sirajul

Program

PhD

Institute

Hazara University

City

Mansehra

Province

KPK

Country

Pakistan

Thesis Completing Year

2017

Thesis Completion Status

Completed

Subject

Chemistry

Language

English

Link

http://prr.hec.gov.pk/jspui/bitstream/123456789/9004/1/Siraj%20Complete%20Ph.D%20Thesis.pdf

Added

2021-02-17 19:49:13

Modified

2024-03-24 20:25:49

ARI ID

1676726181715

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This study was designed to synthesize AgO, SnO2 and TiO2 nanoparticles via both green and chemical methods (precipitation and sol-gel methods). The Daphne alpina leaves extract was used as reducing agent in the green process, while comparatively less toxic reducing agents (C4H11NO for C-AgO, C3H8O for C-SnO2 and ETOH for C-TiO2) were used in the chemical methods. After successful synthesis, the physiochemical properties of the nanoparticles were traced by BET surface area measurement by N2 adsorption-desorption method, X-ray diffraction (XRD), energy dispersive X-rays (EDX) spectroscopy, scanning electron microscopy (SEM), thermogravimetric and differential thermogravimetric (TG/DTG) analysis, diffuse reflectance spectroscopy (DRS) and fourier transform infrared (FTIR) spectroscopy. These analytical techniques further confirmed the successful synthesis of all the desired nanoparticles. XRD confirmed the mixed geometrical phase (cubic and hexagonal) of silver oxides nanoparticles. Both the tin dioxide (G-SnO2 and C-SnO2 NPs) nanoparticles have cassiterite mineral phase with tetragonal geometry while the titanium dioxide nanoparticles (G-TiO2 and C-TiO2 NPs) have anatase mineral phase with tetragonal geometry. The nanoparticles synthesized by green method have high surface area as compared to their analog prepared by chemical methods. The SnO2 and TiO2 nanoparticles synthesized by green (G-SnO2 and G-TiO2 NPs) and chemical (C-SnO2 and C-TiO2 NPs) methods were used as adsorbent for the adsorption of cadmium ions (Cd2+). The Batch method was applied for the Cd2+ ions adsorption process at pH 4 and 6, while temperature was ranging from 293 to 323 K. The NaNO3 was used as xx background electrolyte while the Cd2+ ions concentrations were ranging between 10-100 ppm. The equilibrium concentration of Cd2+ ions was measured by atomic absorption spectrometer (AAS). The Langmuir model was applied to determine the maximum sorption capacity (Xm) and binding energy constant (Kb). A set of equations were used to determine Cd2+ sorption mechanism and also calculated the changes in enthalpy (ΔH), entropy (ΔS) and Gibbs free energy (ΔG). The effect of temperature was more pronounced on Kb values as compared to Xm values, the increase in Kb values with temperature suggest that the adsorption process was thermodynamically favored. The decrease in the ΔG with increase in pH and temperature proposed that the adsorption process was more spontaneous at high pH and temperature. All the synthesized metal oxides (MO NPs) nanoparticles by green (G-AgO, G-SnO2 and G-TiO2 NPs) and chemical method (C-AgO, C-SnO2 and C-TiO2 NPs) were used a photocatalysts for the degradation of rhodamine 6G. The degradation rate constant was calculated by applying pseudo first order reaction. Both titanium dioxide (G-TiO2 and C- TiO2 NPs) have high photocatalytic activity compared to tin dioxide (G-SnO2 and C- SnO2 NPs) and silver oxide (G-AgO and C-AgO NPs). The AgO and SnO2 NPs fabricated by using both the green and chemical methods were functionalized with moxifloxacin using sonochemical method. Both the pure and moxifloxacin functionalized nanoparticles were screened against the selected microbial strains. The Bacillus subtilis, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Candida albicans and Aspergillus niger are the selected microorganisms used during xxi antimicrobial study. The both silver oxide synthesized by green and chemical methods and its moxifloxacin functionalized analog have high antimicrobial activity as compared to tin dioxide (G-SnO2 and C-SnO2 NPs) and its functionalized analog (MG-SnO2 and MC-SnO2 NPs). The moxifloxacin functionalized have positive effect on the antimicrobial activity of both silver oxides (G-AgO and C-AgO NPs) and in dioxide nanoparticles (G-SnO2 and C-SnO2 NPs).
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Density Functional Studies of the Functional Magnetic Materials

Spin polarized calculations based on FP-(L)APW+lo method were performed on non-magnetic, ferromagnetic and antiferromagnetic phase of Bi2Fe4O9. Antiferromagnetic phase was energetically favourable. All exchange correlation functionals accurately describe structural properties of Bi2Fe4O9 but failed to calculate correct band structure. All exchange correlation functionals with U gave bandgap values (2.05 - 2.2eV) closer to experimental values (1.9 - 2.1 eV). The calculated DOS showed hybridization between Fe 3d and O 2p states along with minor overlap between Bi 6p and O 2p states in upper valance band. Lower conduction band was composed of Fe 3d states. Magnetic properties of Bi2Fe4O9 were due to Fe3+ ions having magnetic moment ~4μB. Induced magnetic moments at other atomic sites depend on their local environment. Charge density plots reveal slight covalent character and strong ionic character between Fe-O atoms and Bi-O atoms. In absorption spectrum peak at 1.5 eV was attributed to d-d transition of Fe3+ ions. While peak at 2.05 eV was ascribed to transitions from O 2p valence band to conduction band Fe 3d levels. Static dielectric constant and refractive index were 17.61 and 4.4 respectively. Reflectivity has peak at 15.75 and 18.37 eV (λ = 78.66 and 67.44 nm). Peak in energy loss spectrum at 21.99 eV corresponds to abrupt decrease of reflectivity. Spin polarized calculations of Fe doped ferromagnetic EuO (Eu0.75Fe0.25O, Eu0.50Fe0.50O and Eu0.25Fe0.75O) using mBJ+U method show that lattice constant linearly decrease with increasing doping concentration of Fe atoms. Semiconductor EuO shows metallic character when doped with Fe atoms. Doped EuO exhibit extra peaks of Fe atom 3d states between -10 to 3.5 eV in valence band. Decrease in bandgap was due to increased spd exchange interaction between band electrons and localized 3d electrons of transition atom. Effect of doping was found to be dependent on the location of dopant ions. Electronic and magnetic properties of ferromagnetic EuFeO3 were calculated using mBJ+U exchange correlation functional that better describe energy bandgap values of strongly correlated 4f system. The calculated bandgap 2.7 eV agrees with experimental value. EuFeO3 was found to be charge transfer insulator due to existence of bandgap between O 2p and Eu 4f states.