Matching Items (5)
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- All Subjects: Organic thin films
- All Subjects: Density Functional Theory
- Creators: Adams, James
Description
This thesis focuses on the theoretical work done to determine thermodynamic properties of a chalcopyrite thin-film material for use as a photovoltaic material in a tandem device. The material of main focus here is ZnGeAs2, which was chosen for the relative abundance of constituents, favorable photovoltaic properties, and good lattice matching with ZnSnP2, the other component in this tandem device. This work is divided into two main chapters, which will cover: calculations and method to determine the formation energy and abundance of native point defects, and a model to calculate the vapor pressure over a ternary material from first-principles. The purpose of this work is to guide experimental work being done in tandem to synthesize ZnGeAs2 in thin-film form with high enough quality such that it can be used as a photovoltaic. Since properties of photovoltaic depend greatly on defect concentrations and film quality, a theoretical understanding of how laboratory conditions affect these properties is very valuable. The work done here is from first-principles and utilizes density functional theory using the local density approximation. Results from the native point defect study show that the zinc vacancy (VZn) and the germanium antisite (GeZn) are the more prominent defects; which most likely produce non-stoichiometric films. The vapor pressure model for a ternary system is validated using known vapor pressure for monatomic and binary test systems. With a valid ternary system vapor pressure model, results show there is a kinetic barrier to decomposition for ZnGeAs2.
ContributorsTucker, Jon R (Author) / Van Schilfgaarde, Mark (Thesis advisor) / Newman, Nathan (Committee member) / Adams, James (Committee member) / Arizona State University (Publisher)
Created2011
Description
In 2022, integrated circuit interconnects will approach 10 nm and the diffusion barrier layers needed to ensure long lasting devices will be at 1 nm. This dimension means the interconnect will be dominated by the interface and it has been shown the interface is currently eroding device performance. The standard interconnect system has three layers - a Copper metal core, a Tantalum Adhesion layer and a Tantalum Nitride Diffusion Barrier Layer. An alternate interconnect schema is a Tantalum Nitride barrier layer and Silver as a metal. The adhesion layer is removed from the system along with changing to an alternate, low resistivity metal. First principles are used to assess the interface of the Silver and Tantalum Nitride. Several stoichiometric 1:1 Tantalum Nitride polymorphs are assessed and it is found that the Fe2P crystal structure is actually the most stable crystal structure which is at odds with the published phase diagram for ambient crystal structure. The surface stability of Fe2P-TaN is assessed and the absorption enthalpy of Silver adatoms is calculated. Finally, the thermodynamic stability of the TaN-Ag interconnect system is assessed.
ContributorsGrumski, Michael (Author) / Adams, James (Thesis advisor) / Krause, Stephen (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2012
Description
White organic light emitting diodes (WOLEDs) are currently being developed as the next generation of solid state lighting sources. Although, there has been considerable improvements in device efficiency from the early days up until now, there are still major drawbacks for the implementation of WOLEDs to commercial markets. These drawbacks include short lifetimes associated with highly efficient and easier to fabricate device structures. Platinum (II) complexes are been explored as emitters for single emissive layer WOLEDs, due to their higher efficiencies and stability in device configurations. These properties have been attributed to their square planar nature. Tetradentate platinum (II) complexes in particular have been shown to be more rigid and thus more stable than their other multidentate counterparts. This thesis aims to explore the different pathways via molecular design of tetradentate platinum II complexes and in particular the percipient engineering of a highly efficient and stable device structure. Previous works have been able to obtain either highly efficient devices or stable devices in different device configurations. In this work, we demonstrate a device structure employing Pt2O2 as the emitter using mCBP as a host with EQE of above 20% and lifetime values (LT80) exceeding 6000hours at practical luminance of 100cd/m2. These results open up the pathway towards the commercialization of white organic light emitting diodes as a solid state lighting source.
ContributorsOloye, Temidayo Abiola (Author) / Li, Jian (Thesis advisor) / Alford, Terry (Committee member) / Adams, James (Committee member) / Arizona State University (Publisher)
Created2016
Description
Research and development of organic materials and devices for electronic applications has become an increasingly active area. Display and solid-state lighting are the most mature applications and, and products have been commercially available for several years as of this writing. Significant efforts also focus on materials for organic photovoltaic applications. Some of the newest work is in devices for medical, sensor and prosthetic applications.
Worldwide energy demand is increasing as the population grows and the standard of living in developing countries improves. Some studies estimate as much as 20% of annual energy usage is consumed by lighting. Improvements are being made in lightweight, flexible, rugged panels that use organic light emitting diodes (OLEDs), which are particularly useful in developing regions with limited energy availability and harsh environments.
Displays also benefit from more efficient materials as well as the lighter weight and ruggedness enabled by flexible substrates. Displays may require different emission characteristics compared with solid-state lighting. Some display technologies use a white OLED (WOLED) backlight with a color filter, but these are more complex and less efficient than displays that use separate emissive materials that produce the saturated colors needed to reproduce the entire color gamut. Saturated colors require narrow-band emitters. Full-color OLED displays up to and including television size are now commercially available from several suppliers, but research continues to develop more efficient and more stable materials.
This research program investigates several topics relevant to solid-state lighting and display applications. One project is development of a device structure to optimize performance of a new stable Pt-based red emitter developed in Prof Jian Li's group. Another project investigates new Pt-based red, green and blue emitters for lighting applications and compares a red/blue structure with a red/green/blue structure to produce light with high color rendering index. Another part of this work describes the fabrication of a 14.7" diagonal full color active-matrix OLED display on plastic substrate. The backplanes were designed and fabricated in the ASU Flexible Display Center and required significant engineering to develop; a discussion of that process is also included.
Worldwide energy demand is increasing as the population grows and the standard of living in developing countries improves. Some studies estimate as much as 20% of annual energy usage is consumed by lighting. Improvements are being made in lightweight, flexible, rugged panels that use organic light emitting diodes (OLEDs), which are particularly useful in developing regions with limited energy availability and harsh environments.
Displays also benefit from more efficient materials as well as the lighter weight and ruggedness enabled by flexible substrates. Displays may require different emission characteristics compared with solid-state lighting. Some display technologies use a white OLED (WOLED) backlight with a color filter, but these are more complex and less efficient than displays that use separate emissive materials that produce the saturated colors needed to reproduce the entire color gamut. Saturated colors require narrow-band emitters. Full-color OLED displays up to and including television size are now commercially available from several suppliers, but research continues to develop more efficient and more stable materials.
This research program investigates several topics relevant to solid-state lighting and display applications. One project is development of a device structure to optimize performance of a new stable Pt-based red emitter developed in Prof Jian Li's group. Another project investigates new Pt-based red, green and blue emitters for lighting applications and compares a red/blue structure with a red/green/blue structure to produce light with high color rendering index. Another part of this work describes the fabrication of a 14.7" diagonal full color active-matrix OLED display on plastic substrate. The backplanes were designed and fabricated in the ASU Flexible Display Center and required significant engineering to develop; a discussion of that process is also included.
ContributorsO'Brien, Barry Patrick (Author) / Li, Jian (Thesis advisor) / Adams, James (Committee member) / Alford, Terry (Committee member) / Arizona State University (Publisher)
Created2017
Description
Organic optoelectronics include a class of devices synthesized from carbon containing ‘small molecule’ thin films without long range order crystalline or polymer structure. Novel properties such as low modulus and flexibility as well as excellent device performance such as photon emission approaching 100% internal quantum efficiency have accelerated research in this area substantially. While optoelectronic organic light emitting devices have already realized commercial application, challenges to obtain extended lifetime for the high energy visible spectrum and the ability to reproduce natural white light with a simple architecture have limited the value of this technology for some display and lighting applications. In this research, novel materials discovered from a systematic analysis of empirical device data are shown to produce high quality white light through combination of monomer and excimer emission from a single molecule: platinum(II) bis(methyl-imidazolyl)toluene chloride (Pt-17). Illumination quality achieved Commission Internationale de L’Éclairage (CIE) chromaticity coordinates (x = 0.31, y = 0.38) and color rendering index (CRI) > 75. Further optimization of a device containing Pt-17 resulted in a maximum forward viewing power efficiency of 37.8 lm/W on a plain glass substrate. In addition, accelerated aging tests suggest high energy blue emission from a halogen-free cyclometalated platinum complex could demonstrate degradation rates comparable to known stable emitters. Finally, a buckling based metrology is applied to characterize the mechanical properties of small molecule organic thin films towards understanding the deposition kinetics responsible for an elastic modulus that is both temperature and thickness dependent. These results could contribute to the viability of organic electronic technology in potentially flexible display and lighting applications. The results also provide insight to organic film growth kinetics responsible for optical, mechanical, and water uptake properties relevant to engineering the next generation of optoelectronic devices.
ContributorsBakken, Nathan (Author) / Li, Jian (Thesis advisor) / Dai, Lenore (Thesis advisor) / Adams, James (Committee member) / Alford, Terry (Committee member) / Lind, Mary (Committee member) / Arizona State University (Publisher)
Created2017