A5060218446- Molecular Junctions and Nanostructures
- Conducting polymers and applications
- Organic Electronics and Photovoltaics
- Graphene research and applications
- Quantum and electron transport phenomena
- Fuel Cells and Related Materials
- Polymer Nanocomposite Synthesis and Irradiation
- Force Microscopy Techniques and Applications
- Gas Sensing Nanomaterials and Sensors
- Electrocatalysts for Energy Conversion
- Photochemistry and Electron Transfer Studies
- Advanced Thermoelectric Materials and Devices
- Advanced Chemical Physics Studies
- Electrospun Nanofibers in Biomedical Applications
- Surface and Thin Film Phenomena
- Chalcogenide Semiconductor Thin Films
- Photonic Crystals and Applications
- ZnO doping and properties
- Organic Light-Emitting Diodes Research
- TiO2 Photocatalysis and Solar Cells
- Carbon Nanotubes in Composites
- Advanced biosensing and bioanalysis techniques
- Advanced Physical and Chemical Molecular Interactions
- Nanowire Synthesis and Applications
- Semiconductor Quantum Structures and Devices
University of Babylon
2017-2024
Lancaster University
2017-2019
Abstract A key target in molecular electronics has been molecules having switchable electrical properties. Switching between two states demonstrated using such stimuli as light, electrochemical voltage, complexation and mechanical modulation. classic example of the latter is switching 4,4′‐bipyridine, leading to conductance modulation around 1 order magnitude. Here, we describe use side‐group chemistry control properties a single‐molecule electromechanical switch, which can be cycled by...
A key area of activity in contemporary molecular electronics is the chemical control conductance junctions and devices. Here we study modify a range pyrrolodipyridines (carbazole-like) wires. We are able to change electrical quantum interference patterns by chemically regulating bridging nitrogen atom tricyclic ring system. series eight different N-substituted has been synthesized subjected single-molecule characterization using an STM break junction. Correlations these experimental data...
When two adjacent molecules are slid across each other, quantum interference causes oscillations in their conductance and Seebeck coefficient.
Abstract A key target in molecular electronics has been molecules having switchable electrical properties. Switching between two states demonstrated using such stimuli as light, electrochemical voltage, complexation and mechanical modulation. classic example of the latter is switching 4,4′‐bipyridine, leading to conductance modulation around 1 order magnitude. Here, we describe use side‐group chemistry control properties a single‐molecule electromechanical switch, which can be cycled by...
In this work, the casting method was utilized to prepare thin poly(vinyl alcohol) films with silver oxide (Ag2O) and zinc (ZnO) nanoparticles different percentage weights (1%, 2%, 3%) were produced in study.Were created Physical attributes such as X-ray diffraction (XRD) do not include structural features.The XRD measurements showed both hexagonal crystalline structure of ZnO, simple cubic Ag2O amorphous PVA film.UV-visible spectroscopy used examine effects ZnONPS Ag2ONPS on PVA's optical...
Abstract The current work involved suggestion of a new material “D-π-A system” for use in solar cells as organic dyes sensitized. ground state estimations are done by utilizing the hybrid functional “B3LYP” with 6-311G(d, p) basis set on density theory (DFT) method gas phase. Besides, TD-DFT was selected same to modulate electronic absorption spectra and charge-transfer capabilities analyzed this study. effects introducing different groups π-bridge properties these materials were examined...
DFT method was used to investigate the conductivities and thermoelectric properties for platinum metal complexes. The results were showed type of ligands in molecular complexes, which play a significant role electrical thermal calculations. contact molecule with electrodes along plane given high ability appear conductance. Therefore, nitrogen atom pyridyl rings that contacts gold is more effective than sulfur atoms. These molecules exhibit various conductance profiles, low can be identified...
In this work, graphene oxide (GO) synthesized via a modified Hummer method was utilized to manufacture thin films for gas sensor applications. The were prepared on glass substrates using the spin coating technique, concentration of GO varied in precursor liquid. crystall ographic properties analyzed XRD and results showed polycrystalline structure with crystallite size 15.51 nm. Using weighing method, average film thickness determined be about 200 UV-Vis absorption spectrometry combined Tauc...
Control of quantum interference features : molecular junctions incorporating pyrrolodipyridine-based wires were fabricated by scanning probe methods. Quantum effects introduced employing meta -connected molecules, and modulated in magnitude changing the substituent on pyrrolic N. Dramatic changes conductance DFT transport calculations demonstrate storng effect that small electronic density can have overall a wire.
<b>Control of quantum interference features</b>: molecular junctions incorporating pyrrolodipyridine-based wires were fabricated by scanning probe methods. Quantum effects introduced employing <i>meta</i>-connected molecules, and modulated in magnitude changing the substituent on pyrrolic N. Dramatic changes conductance DFT transport calculations demonstrate storng effect that small electronic density can have overall a wire.
The electronic properties of carbon nanotubes CNTs, such as ionization potential (IP), electron affinity (EA), energy gap (Eg), Fermi (Ef), binding (Eb), the density state (DOS), and IR spectral properties, investigated after substituted OH, SO, SiO2, H2O, N2 groups on optimization structure CNT (3,3). lengths C=C for zigzag (3,3) slight altered with mention given depress in bond length during –OH, -SO, –SiO2 that attitude to orders these different electronegativity power an oxygen atom...
molecular structures of a series bipyrimdine's metal-complex molecules that have attention features in different applications such industry and Scientifics. The transition through metal-bridges complexes at significant role on the metal–bridges interactions. Hence, we demonstrated to use complex show effect metal-ligand atom electronics optical properties, know pi-conjugated system all attempts before/ or after replaced one carbon with nitrogen atoms two pyridine rings. We used Gaussian 09...
The present work shows a theoretical results that have been used the functional Hybrid of three parameters Lee-Yang-Parr (B3LYP) quantum mechanical approach for density theory with (Spanish Initiative Electronic Simulations Thousands Atoms) SIESTA code. All calculations were carried out employing method at Gaussian 09 package programs. It was reported main point research on dominance bandgap elongated pi-conjugated molecules by using different chemical groups replacing hydrogen atom in most...