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Full-Text Articles in Engineering Science and Materials
First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman
First-Principles Studies Of Anion Engineering In Functional Ceramics, Steven Timothy Hartman
McKelvey School of Engineering Theses & Dissertations
Ceramic materials display a wide variety of valuable properties, such as ferroelectricity, superconductivity, and magnetic ordering, due to the partially covalent bonds which connect the cations and anions. While many breakthroughs have been made by mixing multiple cations on a sublattice, the equivalent mixed-anion ceramics have not received nearly as much attention, despite the key role the anion plays in the materials’ properties. There is great potential for functional ceramics design using anion engineering, which aims to tune the materials properties by adding and removing different types of anions in existing classes of ceramic materials. In this dissertation, I present …
Spectroscopic Investigations Of Excited Charge Carriers In Ii-Vi Nanoparticles, William Matthew Sanderson
Spectroscopic Investigations Of Excited Charge Carriers In Ii-Vi Nanoparticles, William Matthew Sanderson
Arts & Sciences Electronic Theses and Dissertations
The large absorption cross sections and the tunability of the energetic spacings between the states in the conduction (CB) and valence band (VB) within a semiconductor nanoparticle (NP) make them promising media for capturing electromagnetic radiation and converting it into charge carriers, or electricity. In photovoltaic devices that incorporate semiconductor NPs, it would be ideal if every photon could be absorbed by a NP and the carriers could be collected with perfect efficiency and without loss of energy. The relaxation pathways of the carriers within the NPs down to the band edge and their fate at the band edge contribute …
Structure, Thermophysical Properties Of Liquids, And Their Connection With Glass Formability, Rongrong Dai
Structure, Thermophysical Properties Of Liquids, And Their Connection With Glass Formability, Rongrong Dai
McKelvey School of Engineering Theses & Dissertations
Metallic glasses have drawn significant attention due to their unique properties, such as high strength, excellent elastic energy storage capacity, and versatile processability. However, why some liquids can easily form metallic glasses while others donմ is still unclear. Since metallic glasses are formed when liquids are cooled fast enough to bypass crystallization, we hope to better understand glass formation by investigating the structural evolution and thermophysical properties of the liquids as they are cooled toward the glass transition. Multiple molecular dynamics simulations suggest a crossover temperature for the dynamics near the liquidus temperature, which corresponds to the onset of cooperative …