A5020169473- Transition Metal Oxide Nanomaterials
- Gas Sensing Nanomaterials and Sensors
- Perovskite Materials and Applications
- Heusler alloys: electronic and magnetic properties
- Thermal Expansion and Ionic Conductivity
- TiO2 Photocatalysis and Solar Cells
- Catalysis and Oxidation Reactions
- Magnetic and transport properties of perovskites and related materials
- ZnO doping and properties
- Chalcogenide Semiconductor Thin Films
- Copper-based nanomaterials and applications
- Electronic and Structural Properties of Oxides
- Multiferroics and related materials
- 2D Materials and Applications
- Phytochemistry and Bioactivity Studies
- Plant and Fungal Species Descriptions
- Advanced Nanomaterials in Catalysis
- Nanoparticles: synthesis and applications
- Solid-state spectroscopy and crystallography
- Quantum Dots Synthesis And Properties
- Advanced Photocatalysis Techniques
- Ga2O3 and related materials
- Advanced Condensed Matter Physics
- Conducting polymers and applications
- Optical Coatings and Gratings
Allama Iqbal Open University
2017-2025
University of Auckland
2011-2017
Reported work is based upon the synthesis of [email protected]2 NPs in a suitable way using cedrus deodara extract, which easily available, and have abundance phenolic content it. This type approach not only saves time but also it chemical free nontoxic effects on environment. The doping TiO2 with metals especially copper can be used as strong candidate for energy band gap engineering reducing recombination photogenerated exciton (electron/hole) pairs. gradual mixing dopant titanium dioxide...
Abstract This study aims at exploring the potential of inorganic wide-bandgap mixed-halide aluminum-containing perovskites Cs 3 AlI x Br 6− for solar harvesting, by investigating their structural, electronic and optical properties through density functional theory using augmented plane wave plus local orbital method. The structural were calculated with PBE-GGA potential. Volume optimization negative formation energies confirm thermal stability compounds. Tran–Blaha modified Becke–Johnson...
Abstract This study aims at exploring the potential of inorganic wide-bandgap mixed-halide aluminum-containing perovskites Cs3AlIxBr6-x in solar harvesting, by investigating their structural, electronic, and optical properties with density functional theory (DFT) using APW+lo method. The structural were calculated PBE-GGA potential. Volume optimization negative formation energies confirm thermal stability compounds. electronic TB-mBJ corrected bandgaps revealed that these materials belong to...
Wide band gap magnetic semiconductors made of lanthanide compounds have a wide range applications in opto-magneto-electronic industry and electro (photo) luminescence devices. We carried out systematic study electronic, optical properties rare earth potassium sulfides KMS2 (M = Nd, Ho, Er, Lu) using density functional theory (DFT) with full potential linearized augmented plane wave method (FP-LAPW). Different exchange correlation approximations are employed such as generalized gradient...
Zinc vanadium oxide Zn3(VO4)2 has been prepared by means of DC magnetron sputtering and subsequent post heat treatment. The samples were synthesized via two routes: dual-target co-sputtering ZnO V2O5 or the ordinal deposition thin layers. obtained precursors then annealed in oxygen atmosphere from 500 to 550 °C form compound. Morphology composition have investigated scanning electron microscope energy-dispersive X-ray spectroscopy. diffraction pattern shows presence α-Zn3(VO4)2, ZnO–V2O5...
A stable and insoluble V2O5·nH2O/tetra-n-butyl titanate (TBO) hybrid xerogel was synthesized by the sol–gel method. This novel material proved to be an efficient absorbent with absorption capacity of 179 mg·g−1 for Rhodamine B (RhB) in water due its unique layered structure, which can effectively accommodate RhB molecules between layers as demonstrated XRD FTIR spectroscopic analyses.
Surface modification has been used as a method to create defects on [Formula: see text] materials, which can improve their desirable properties. In this paper, defected nano-powder was successfully synthesized by chemical reduction using the reducing agent at 300–400[Formula: under argon atmosphere. High defect concentration be produced increasing process temperature. The modified shows good visible light absorption and photocatalytic activity degradation of Rhodamine B (4–9 times higher...
Stable LaMnO3 (LMO) is successfully synthesized in cubic phase by hydrothermal process. The x-ray diffraction (XRD) results obtained are Rietveld refined which gives the best fit for symmetry with space group Pm3m. Experimentally lattice parameters were used to further investigate electronic, magnetic and elastic properties under extreme stress using Full-Potential Linearized Augmented Plane Wave (FP-LAPW) method within density functional theory (DFT). experimentally observed parameter...
The structural, electronic, and optical properties of Zn3(VO4)2 are investigated using full potential linearized augmented plane wave (FP-LAPW) method within the framework density functional theory (DFT). Various approaches adopted to treat exchange correlation energy such as generalized gradient approximation (GGA), GGA+U, Tran–Blaha modified Becke–Johnson (TB-mBJ) potential. calculated band gap 3.424 eV by TB-mBJ is found be close experimental result (3.3 eV). anisotropy analyzed through...
Crystal structure of vanadium oxide films with different thickness, deposited on glass and F:SnO2 coated (FTO) substrates, was studied. It found that all the annealed at 450 °C developed a metastable β-V2O5 monoclinic crystal structure, represented by crystals up to 100 nm. At higher temperatures, original relatively thick 400 nm substrate first increased in size improved their symmetry from tetragonal, then gradually intergrew into spectacular superstructures “leaves” (500 °C) “needles”...
ZnO/V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> O xmlns:xlink="http://www.w3.org/1999/xlink">5</sub> mixed and bilayer composites on glass substrate were deposited by magnetron sputtering at room temperature. Mixed prepared dual target from both ZnO V targets whereas obtained deposition of bottom layer capped thin layer. Post annealing treatment in oxygen ambience different temperatures was conducted. Variation microstructural...