Theses and dissertations

This collection includes both ASU Theses and Dissertations, submitted by graduate students, and the Barrett, Honors College theses submitted by undergraduate students. 

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Computational studies of 4H and 6H silicon carbide

Description
Silicon carbide (SiC), long touted as a material that can satisfy the specific property requirements for high temperature and high power applications, was studied quantitatively using various techniques. The electronic band structure of 4H SiC is examined in the first half of this dissertation. A brief introduction to band structure…

Silicon carbide (SiC), long touted as a material that can satisfy the specific property requirements for high temperature and high power applications, was studied quantitatively using various techniques. The electronic band structure of 4H SiC is examined in the first half of this dissertation. A brief introduction to band structure calculations, with particular emphasis on the empirical pseudopotential method, is given as a foundation for the subsequent work. Next, the crystal pseudopotential for 4H SiC is derived in detail, and a novel approach using a genetic algorithm search routine is employed to find the fitting parameters needed to generate the band structure. Using this technique, the band structure is fitted to experimentally measured energy band gaps giving an indirect band gap energy of 3.28 eV, and direct f¡, M, K and L energy transitions of 6.30, 4.42, 7.90 and 6.03 eV, respectively. The generated result is also shown to give effective mass values of mMf¡*=0.66m0, mMK*=0.31m0, mML*=0.34m0, in close agreement with experimental results. The second half of this dissertation discusses computational work in finding the electron Hall mobility and Hall scattering factor for 6H SiC. This disscussion begins with an introductory chapter that gives background on how scattering rates are dervied and the specific expressions for important mechanisms. The next chapter discusses mobility calculations for 6H SiC in particular, beginnning with Rode's method to solve the Boltzmann transport equation. Using this method and the transition rates of the previous chapter, an acoustic deformation potential DA value of 5.5 eV, an inter-valley phonon deformation potential Dif value of 1.25~1011 eV/m and inter-valley phonon energy ℏfÖif of 65 meV that simultaneously fit experimental data on electron Hall mobility and Hall scattering factor was found.
ContributorsNg, Garrick (Author) / Schroder, Dieter K. (Thesis advisor) / Vasileska, Dragica (Committee member) / Skromme, Brian (Committee member) / Alford, Terry (Committee member) / Marinella, Matthew (Committee member) / Arizona State University (Publisher)
Created2010
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Phosphorescent Metal Complexes and Their Molecular Aggregates for Stable and Efficient Organic Light-Emitting Diodes

Description
Over the past three decades, significant progress in the development of organic light-emitting diodes (OLEDs) has been achieved, enabling OLEDs to become a main component in state-of-the-art displays and next generation solid-state lighting. As this technology advances, it is highly desirable to further improve the device efficiency and operational stability…

Over the past three decades, significant progress in the development of organic light-emitting diodes (OLEDs) has been achieved, enabling OLEDs to become a main component in state-of-the-art displays and next generation solid-state lighting. As this technology advances, it is highly desirable to further improve the device efficiency and operational stability to drive the success of OLEDs in future display and lighting applications. This dissertation aims at developing novel organic emitting materials covering visible and near-infrared (NIR) emissions for efficient and table OLEDs. Firstly, a series of tetradentate Pd(II) complexes, which have attractive phosphorescent aggregate emission performance especially at high brightness level in device settings, have been developed. The luminescent lifetime of Pd(II) complex aggregates was demonstrated to be shorter than 1 μs with a close-to-unity photoluminescence quantum yield. Moreover, a systematic study regarding structure-property relationship was conducted on four tetradentate Pd(II) complexes, i.e., Pd3O3, Pd3O8-P, Pd3O8-Py2, and Pd3O8-Py5, featuring aggregate emission. As a result, an extremely efficient and stable OLED device utilizing Pd3O8-Py5 was achieved. It demonstrated a peak external quantum efficiency (EQE) of 37.3% with a reduced efficiency roll-off retaining a high EQE of 32.5% at 10000 cd m-2, and an estimated LT95 lifetime (time to 95% of the initial luminance) of 48246 h at 1000 cd m-2. Secondly, there is an increasing demand for NIR OLEDs with emission spectra beyond 900 nm to expand their applications in biometric authentication, night vision display, and telecommunication, etc. A stable and efficient NIR Pt(II) porphyrin complex named PtTPTNP-F8 was developed, and exhibited an electroluminescent spectrum at 920 nm. By carefully choosing the host materials, an PtTPTNP-F8 based NIR OLED achieved a EQE of 1.9%. Furthermore, an PtTPTNP-F8 OLED fabricated in a stable device structure demonstrated extraordinary operational stability with LT99 of >1000 h at 20 mA cm-2. Lastly, a series of imidazole-based blue Pt(II) complexes were developed and studied. Results indicated that structural modification of ligand molecules effectively tuned the emission spectral wavelength and bandwidth. Two blue complexes, i.e., Pt2O2 P2M and Pt2O2-PPy5-M, emitting at 472 and 476 nm respectively, exhibited narrow-band emission spectra with a full width at half maximum of 16 nm.
ContributorsCao, Linyu (Author) / Li, Jian (Thesis advisor) / Adams, James (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2021