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Amorphous hydrogenated boron carbide for solid-state direct-conversion thermal neutron detection
(2021)
Amorphous hydrogenated boron carbide (a-BC:H) is one of a very limited number of neutron-sensitive materials. It has been studied over the last three decades for solid-state thermal neutron detection due to its high resistivity, moderate bandgap...
Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
(2013)
that there is a pseudogap existing, while the band structure of β-t-B190 at the Fermi level shows very few flat states existing. By investigating the XANES spectra for a series of perfect icosahedra built up with different bond lengths, XANES spectra of icosahedra...
Effects of pressure and temperature on the yield strength of tantalum and rhenium
(2013)
The effects of pressure and temperature on the yield strength of tantalum and
the effects of pressure on the yield strength of rhenium were investigated using ruby
fluorescence. A new Raman system with a motorized stage ...
Hydrolysis and aqueous corrosion of silicate and aluminosilicate glasses via ab initio molecular dynamics simulation
(2021)
simulating the glass-water interface models of aluminosilicate glasses using AIMD. The local short- and intermediate-range order properties embedded in pair distribution function, coordination number, bond-angle, and bond-length distribution are analyzed...
Pressure-induced phase transitions in select molybdates and tungstates
(2013)
Mao-Bell and symmetric diamond anvil cells were used to study the effect of
high-pressure on a series of tungstate and molybdate compounds. The experimental
techniques of powder x-ray diffraction and Raman spectroscopy ...
Electronic, Optical, Structural, and Elastic Properties of MAX Phases and (Cr2Hf)2Al3C3
(2014-09-30)
The term “MAX phase” refers to a very interesting and important class of
layered ternary transition-metal carbides and nitrides with a novel combination of both
metal- and ceramic-like properties that have made these ...
Uranium Oxides for Solid-State Direct-Conversion Neutron Detection
(2020)
This study is focused on studying the potential of uranium oxides as solid-state direct-conversion neutron detectors.
By modeling uranium oxides as neutron detectors, we found that thick detectors with suitable uranium ...
Positron interactions with oriented polymers and with chiral quartz crystals
(University of Missouri--Kansas City, 2017)
Positron annihilation in various materials has been applied to characterize
microstructure for decades. In this work, PALS was used to study material nanostructure,
with a focus on the size and density of free volume ...
Implementation of Solution and Solid Sate Nuclear Magnetic Resonance (NMR) Spectroscopic Techniques for Quantitative and Qualitative Analysis of Molecular Species
(University of Missouri -- Kansas City, 2019)
In this dissertation, spectroscopy has been used to solve a variety of problems in different
domains of science. Therefore, each chapter consists of different examples that have been
addressed using different concepts ...
Deciphering of packing signal hypothesis in bacterophage RNA recognition by the MS2 capsid protein in virus assembly
(University of Missouri -- Kansas City, 2018)
MS2 is a classical example of a single-stranded RNA virus for which the genomic
RNA plays pivotal roles in the virus assembly process. Multiple dispersed RNA se
quence/structure motifs, packaging signals (PSs) varying ...
The Bulk and Interfacial Electronic and Chemical Structure of Amorphous Hydrogenated Boron Carbide
(2013)
The chemical and electronic structure, as related to the surface, interface and bulk of amorphous hydrogenated boron carbide (a-BxC:Hy), is of interest in neutron detection and microelectronics. This dissertation investigates ...
Ab Initio Study of Amorphous Zeolitic Imidazolate Framework (A-ZIF) and Pyrophosphate crystals
(2020)
Zeolitic imidazolate frameworks (ZIFs) are a rapidly emerging class of versatile porous material with many potential applications. Here, we report the construction of an amorphous ZIF (a-ZIF) model from a near-perfect ...
Photoemission Spectroscopy Studies of New Topological Insulator Materials
(2015-08-04)
As the size of a solid shrinks, the ratio of surface area to bulk volume grows and
surface effects become more important. In a world where technologies advance with the
shrinking size of electronic devices, one phase of ...