Open Access. Powered by Scholars. Published by Universities.®

Physical Sciences and Mathematics Commons

Open Access. Powered by Scholars. Published by Universities.®

Articles 1 - 9 of 9

Full-Text Articles in Physical Sciences and Mathematics

Computational Studies For Optimization And Design Of Extracting Agents For Separation Of Lanthanides And Actinides, Deborah Andrea Penchoff Dec 2014

Computational Studies For Optimization And Design Of Extracting Agents For Separation Of Lanthanides And Actinides, Deborah Andrea Penchoff

Doctoral Dissertations

Rare earths and actinides are of great interest given their varied applications in energy conversion and storage, such as in catalysis and batteries, and for advanced technological applications related to optical and magnetic properties (including electronics and automotive), amongst others. Many of the rare earth elements are considered endangered species due to their unique properties which have no clear alternatives that will maintain performance for important applications. The optimal approach is to find readily available alternatives for critical materials to ensure a certain standard of living and quality of life for future generations, but it is very likely that reusing …


Functional Nanocomposites From Self-Assembly Of Block Copolymers With Nanoparticles, Xinyu Wang Nov 2014

Functional Nanocomposites From Self-Assembly Of Block Copolymers With Nanoparticles, Xinyu Wang

Doctoral Dissertations

This dissertation studied the proper distribution and location control of nanoparticles (NPs) within block copolymer (BCP) templates. A facile ligand exchange reaction was introduced for the hydrophilic magnetic NPs (MNPs) that are readily dispersed in polar solvents with outstanding stability. Small molecule ligands were selected to associate strongly with particle surfaces, provide hydrophilic termini for polarity matching with polar solvents, and offer the potential for hydrogen-bonding interactions to facilitate NP incorporation into polymers. Areal ligand densities of NPs indicated a significant increase in the ligand coverage after the exchange reaction. Hydrophilic MNPs were shown to drive the self-assembly of BCPs …


Nanoparticle Building Blocks For Functional Structures, Youngdo Jeong Nov 2014

Nanoparticle Building Blocks For Functional Structures, Youngdo Jeong

Doctoral Dissertations

A major goal in material science is achieving a desired function using structures fabricated with designed building blocks. Advanced synthetic and self-assembly techniques allow various nanomaterials to become promising building blocks, providing the control of the interaction between building blocks. The unique properties of nanomaterials can be transferred to structured systems. Among nanomaterials, inorganic nanoparticles such as gold nanoparticles (AuNPs), magnetic particles, and quantum dots (QDs) provide useful physical properties stemming from their inorganic core, large surface areas, and oriented surface functionalities. My research has focused on fabricating functional systems using gold nanoparticles (AuNPs), manipulating the interaction between AuNPs, bio-entities, …


On The Assembly Of Functionalized Cdse Nanorods, Sirinya Chantarak Nov 2014

On The Assembly Of Functionalized Cdse Nanorods, Sirinya Chantarak

Doctoral Dissertations

High aspect ratio (AR) CdSe nanorods (NRs) of well-defined sizes were synthesized to optimize the geometries of photovoltaic devices made from these nanorods. Long-range ordering of hexagonal arrays of high AR NRs is achieved by a combination of controlled solvent evaporation and the use of an applied electric field. Regioregular P3HT chains and oligothiophene were functionalized with ligating end-groups to provide contact to the NRs. Vertically oriented assemblies of CdSe NRs functionalized with terthiophene and polythiophene are also obtained. Hexagonal arrays of these nanocomposites were characterized by transmission electron microscopy (TEM). Three types of polythiophenes: poly(3-hexylthiol thiophene), poly(3-hexylamine thiophene), and …


Spectroscopic Studies Of Non-Covalent Metal Ion-Ligand Interactions, Abdulkadir Kocak Aug 2014

Spectroscopic Studies Of Non-Covalent Metal Ion-Ligand Interactions, Abdulkadir Kocak

Doctoral Dissertations

Non-covalent interactions between metal ions and ligands such as water and methane have been extensively studied due to their biological and industrial importance. Gas phase studies can reveal the fundamental nature of these metal-ligand interactions. Photofragment spectroscopy is a powerful technique to investigate bond strengths, dissociation dynamics, molecular geometry and clustering and can be applied to electronic and vibrational spectroscopy. Using a home built apparatus, which combines ion production via laser ablation, separation via time-of-flight (TOF) mass spectrometry, laser excitation, and TOF fragment mass analysis, we have obtained electronic spectra of Co+(H2O) and vibrational spectra of …


Molecular Engineering Strategies For The Design And Synthesis Of New Organic Photovoltaic Materials, Paul J. Homnick Aug 2014

Molecular Engineering Strategies For The Design And Synthesis Of New Organic Photovoltaic Materials, Paul J. Homnick

Doctoral Dissertations

Dramatic improvements in organic photovoltaic device efficiency can be obtained by optimizing spectral absorbance and frontier molecular orbital (FMO) energies, increasing solid state exciton/charge mobility, and utilizing p-/n-type nanoarchitecture. Combining all of these properties into a new material presents a considerable synthetic challenge because potential commercial applications require materials that are high-performance and inexpensive. Thus, it is advantageous to design new materials using a versatile, modular synthetic approach that allows each design criterion to be engineered individually, in a synthetically efficient manner. Several strategies were successfully pursued using simple interchangeable electron donor and acceptor components as functional modules, which …


Optical And Scanning Probe Studies Of Isolated Poly (3-Hexylthiophene) Nanofibers, Mina Baghgarbostanabad Aug 2014

Optical And Scanning Probe Studies Of Isolated Poly (3-Hexylthiophene) Nanofibers, Mina Baghgarbostanabad

Doctoral Dissertations

Plastic electronics have an essential role in the future technologies owing to their compelling characteristics such as light weight, biocompatibity, low cost fabrication, and tunable optoelectronic properties. However, the performance of polymer-based devices strongly depends on the efficiency of exciton formation and dynamics that are themselves strongly sensitive to polymer molecular packing and structural order. Therefore, the current challenge in achieving high efficiency is establishing a correlation between molecular packing and exciton coupling. P3HT nanofibers represent an attractive platform for studying optical and electronic properties of exciton coupling because their nominal (highly crystalline) internal chain packing structure is known. A …


Methods For Quantitative Local Structure Analysis Of Crystalline Materials Employing High Performance Computing, Tara Marie Michels-Clark May 2014

Methods For Quantitative Local Structure Analysis Of Crystalline Materials Employing High Performance Computing, Tara Marie Michels-Clark

Doctoral Dissertations

A fundamental computational methodology was investigated to extract quantitative local structure information from single crystal diffuse scattering data. The principles of a highly efficient, parallelizable local structure analysis using massively parallel computing resources at Oak Ridge National Laboratory (ORNL) are demonstrated on an organic hydrocarbon compound containing stacking faults, Tris(bicyclo[2.1.1]hexeno)benzene. A probabilistic model of the stacking variations with a five layer interaction depth was developed. The final model structure motif statistics are verified using the steady state distribution of Markov matrix representing the four to five layer transitions. The computations revealed that highly parallelizable “structure-clones” could replace less computationally efficient …


Understanding The Plasmonic Properties Of Metallic Nanostructures With Correlated Photon- And Electron-Driven Excitations, Vighter Ozezinimize Iberi May 2014

Understanding The Plasmonic Properties Of Metallic Nanostructures With Correlated Photon- And Electron-Driven Excitations, Vighter Ozezinimize Iberi

Doctoral Dissertations

The collective oscillation of the conduction band electrons in metal nanostructures, known as plasmons, can be used to manipulate light on length scales that are smaller than the diffraction limit of visible light. In this dissertation, a correlated approach is used to probe localized surface plasmon resonances (LSPRs) in metallic nanostructures, and their application to surface-enhanced spectroscopy. This correlated approach involves the measurement of LSPRs with dark-field optical microscopy (resonance-Rayleigh scattering), and electron energy-loss spectroscopy (EELS) in a scanning transmission electron microscope (STEM). Structural parameters of the exact same nanostructures obtained from the STEM are subsequently used in performing fully …