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Description
Fuel cells, particularly solid oxide fuel cells (SOFC), are important for the future of greener and more efficient energy sources. Although SOFCs have been in existence for over fifty years, they have not been deployed extensively because they need to be operated at a high temperature (∼1000 °C), are expensive, and have slow response to changes in energy demands. One important need for commercialization of SOFCs is a lowering of their operating temperature, which requires an electrolyte that can operate at lower temperatures. Doped ceria is one such candidate. For this dissertation work I have studied different types of doped ceria to understand the mechanism of oxygen vacancy diffusion through the bulk. Doped ceria is important because they have high ionic conductivities thus making them attractive candidates for the electrolytes of solid oxide fuel cells. In particular, I have studied how the ionic conductivities are improved in these doped materials by studying the oxygen-vacancy formations and migrations. In this dissertation I describe the application of density functional theory (DFT) and Kinetic Lattice Monte Carlo (KLMC) simulations to calculate the vacancy diffusion and ionic conductivities in doped ceria. The dopants used are praseodymium (Pr), gadolinium (Gd), and neodymium (Nd), all belonging to the lanthanide series. The activation energies for vacancy migration between different nearest neighbor (relative to the dopant) positions were calculated using the commercial DFT code VASP (Vienna Ab-initio Simulation Package). These activation energies were then used as inputs to the KLMC code that I co-developed. The KLMC code was run for different temperatures (673 K to 1073 K) and for different dopant concentrations (0 to 40%). These simulations have resulted in the prediction of dopant concentrations for maximum ionic conductivity at a given temperature.
ContributorsAnwar, Shahriar (Author) / Adams, James B (Thesis advisor) / Crozier, Peter (Committee member) / Krause, Stephen (Committee member) / Arizona State University (Publisher)
Created2011
Description
One of the grand challenges of engineering is to provide access to clean water because it is predicted that by 2025 more than two thirds of the world’s population will face severe water shortages. To combat this global issue, our lab focuses on creating a novel composite membrane to recover potable water from waste. For use as the water-selective component in this membrane design Linde Type A zeolites were synthesized for optimal size without the use of a template. Current template-free synthesis of zeolite LTA produces particles that are too large for our application therefore the particle size was reduced in this study to reduce fouling of the membrane while also investigating the nanoparticle synthesis mechanisms. The time and temperature of the reaction and the aging of the precursor gel were systematically modified and observed to determine the optimal conditions for producing the particles. Scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray analysis were used for characterization. Sub-micron sized particles were synthesized at 2 weeks aging time at -8°C with an average size of 0.6 micrometers, a size suitable for our membrane. There is a limit to the posterity and uniformity of particles produced from modifying the reaction time and temperature. All results follow general crystallization theory. Longer aging produced smaller particles, consistent with nucleation theory. Spinodal decomposition is predicted to affect nucleation clustering during aging due to the temperature scheme. Efforts will be made to shorten the effective aging time and these particles will eventually be incorporated into our mixed matrix osmosis membrane.
ContributorsKing, Julia Ann (Author) / Lind, Mary Laura (Thesis director) / Durgun, Pinar Cay (Committee member) / Chemical Engineering Program (Contributor) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
Description
With renewable energy on the rise, researchers have turned their funding and their focus towards new solar cell technologies, and perovskites are a major source of interest. This class of materials is particularly interesting due to their quick, simple synthesis as well as their physical and electrical superiority when compared to current silicon-based solar cells. Through this thesis, we will explore the synthesis of various types of perovskites and their subsequent characterization, which includes optical microscopy, photoluminescence spectroscopy, Raman microscopy, and X-ray diffraction. Analyzing two different perovskites both before and after a two-week period of storage revealed that while synthesis is indeed experiment-friendly, these materials have a concerning lack of stability even in ideal conditions.
ContributorsBuzas, Benjamin Joseph (Author) / Tongay, Sefaattin (Thesis director) / Muhich, Christopher (Committee member) / Materials Science and Engineering Program (Contributor, Contributor) / Barrett, The Honors College (Contributor)
Created2020-05
Description
Titanium dioxide is an essential material under research for energy and environmental applications, chiefly through its photocatalytic properties. These properties allow it to be used for water-splitting, detoxification, and photovoltaics, in addition to its conventional uses in pigmentation and sunscreen. Titanium dioxide exists in several polymorphic structures, of which the most common are rutile and anatase. We focused on anatase for the purposes of this research, due to its promising results for hydrolysis.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
Anatase exists often in its reduced form (TiO2-x), enabling it to perform redox reactions through the absorption and release of oxygen into/from the crystal lattice. These processes result in structural changes, induced by defects in the material, which can theoretically be observed using advanced characterization methods. In situ electron microscopy is one of such methods, and can provide a window into these structural changes. However, in order to interpret the structural evolution caused by defects in materials, it is often necessary and pertinent to use atomistic simulations to compare the experimental images with models.
In this thesis project, we modeled the defect structures in anatase, around oxygen vacancies and at surfaces, using molecular dynamics, benchmarked with density functional theory. Using a “reactive” forcefield designed for the simulation of interactions between anatase and water that can model and treat bonding through the use of bond orders, different vacancy structures were analyzed and simulated. To compare these theoretical, generated models with experimental data, the “multislice approach” to TEM image simulation was used. We investigated a series of different vacancy configurations and surfaces and generated fingerprints for comparison with TEM experiments. This comparison demonstrated a proof of concept for a technique suggesting the possibility for the identification of oxygen vacancy structures directly from TEM images. This research aims to improve our atomic-level understanding of oxide materials, by providing a methodology for the analysis of vacancy formation from very subtle phenomena in TEM images.
ContributorsShindel, Benjamin Noam (Author) / Crozier, Peter (Thesis director) / Anwar, Shahriar (Committee member) / Singh, Arunima (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2019-05
Description
Graphene has the ability to advance many common fields, including: membranes, composites and coatings, energy, and electronics. For membranes, graphene will be used as a filter for desalination plants which will reduce the cost of desalination and greatly increase water security in developing countries. For composites and coatings, graphene's strength, flexibility, and lightweight will be instrumental in producing the next generation of athletic wear and sports equipment. Graphene's use in energy comes from its theorized ability to charge a phone battery in seconds or an electric car in minutes. Finally, for electronics, graphene will be used to create faster transistors, flexible electronics, and fully integrated wearable technology.
ContributorsSiegel, Adam (Author) / Adams, James (Thesis director) / Krause, Stephen (Committee member) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2018-05
Description
Solid-state lithium-ion batteries are a major area of research due to their increased safety characteristics over conventional liquid electrolyte batteries. Lithium lanthanum zirconate (LLZO) is a promising garnet-type ceramic for use as a solid-state electrolyte due to its high ionic conductivity. The material exists in two dierent phases, one that is cubic in structure and one that is tetragonal. One potential synthesis method that results in LLZO in the more useful, cubic phase, is electrospinning, where a mat of nanowires is spun and then calcined into LLZO. A phase containing lanthanum zirconate (LZO) and amorphous lithium occursas an intermediate during the calcination process. LZO has been shown to be a sintering aid for LLZO, allowing for lower sintering temperatures. Here it is shown the eects of internal LZO on the sintered pellets. This is done by varying the 700C calcination time to transform diering amounts of LZO and LLZO in electrospun nanowires, and then using the same sintering parameters for each sample. X-ray diraction was used to get structural and compositional analysis of both the calcined powders and sintered pellets. Pellets formed from wires calcined at 1 hour or longer contained only LLZO even if the calcined powder had only undergone the rst phase transformation. The relative density of the pellet with no initial LLZO of 61.0% was higher than that of the pellet with no LZO, which had a relative density of 57.7%. This allows for the same, or slightly higher, quality material to be synthesized with a shorter amount of processing time.
ContributorsLondon, Nathan Harry (Author) / Chan, Candace (Thesis director) / Tongay, Sefaattin (Committee member) / Department of Physics (Contributor) / Materials Science and Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2017-05
Description
The vastly growing field of supercomputing is in dire need of a new measurement system to optimize JMRAM (Josephson junction magnetoresistive random access memory) devices. To effectively measure these devices, an ultra-low-noise, low cost cryogenic dipping probe with a dynamic voltage range is required. This dipping probe has been designed by ASU with <100 nVp-p noise, <10 nV offsets, 10 pV to 16 mV voltage range, and negligible thermoelectric drift. There is currently no other research group or company that can currently match both these low noise levels and wide voltage range. Two different dipping probes can be created with these specifications: one for high-use applications and one for low-use applications. The only difference between these probes is the outer shell; the high-use application probe has a shell made of G-10 fiberglass for a higher price, and the low-use application probe has a shell made of AISI 310 steel for a lower price. Both types of probes can be assembled in less than 8 hours for less than $2,500, requiring only soldering expertise. The low cost and short time to create these probes makes wide profit margins possible. The market for these cryogenic dipping probes is currently untapped, as most research groups and companies that use these probes build their own, which allows for rapid business growth. These potential consumers can be easily reached by marketing these probes at superconducting conferences. After several years of selling >50 probes, mass production can easily become possible by hiring several technicians, and still maintaining wide profit margins.
ContributorsHudson, Brooke Ashley (Author) / Adams, James (Thesis director) / Anwar, Shahriar (Committee member) / Materials Science and Engineering Program (Contributor) / W. P. Carey School of Business (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
Description
Perovskite films are the future of solar cell technology as they are not only low cost to produce and lightweight but also have a 26% conversion efficiency. This is extremely close to the standard silicon solar cell. The key challenge limiting the commercialization potential of these films is their fragility and durability to outdoors conditions. This project investigates the mechanical and material properties of these perovskite materials in order to understand their future manufacturing capabilities. Through the use of a spin coater, blade coater, and a double cantilever beam testing set up, the fracture energy (or toughness), Gc, of Perovskite films is determined. Understanding the properties of these films can help manufacturers determine how to best make durable films that can be used in everyday energy generation. Furthermore, this study offers strategies to improve the fracture energy of these films by adding polymers and food-additive starches to the recipe. The findings collected in this project present a technique to study the mechanical properties of perovskite-based solar technology and films and further aid the technology to become commercially viable.
ContributorsBakshi, Kayshavi (Author) / Rolston, Nicholas (Thesis director) / Li, Muzhi (Committee member) / Barrett, The Honors College (Contributor) / Materials Science and Engineering Program (Contributor) / School of International Letters and Cultures (Contributor) / Mechanical and Aerospace Engineering Program (Contributor)
Created2023-12
Description
Over the past few years, research into the use of doped diamond in electronics has seen an exponential growth. In the course of finding ways to reduce the contact resistivity, nanocarbon materials have been an interesting focus. In this work, the transfer length method (TLM) was used to investigate Ohmic contact properties using the tri-layer stack Ti/Pt/Au on nitrogen-doped n-type conducting nano-carbon (nanoC) layers grown on (100) diamond substrates. The nanocarbon material was characterized using Secondary Ion Mass Spectrometry (SIMS), Scanning electron Microscopy (SEM) X-ray diffraction (XRD), Raman scattering and Hall effect measurements to probe the materials characteristics. Room temperature electrical measurements were taken, and samples were annealed to observe changes in electrical conductivity. Low specific contact resistivity values of 8 x 10^-5 Ωcm^2 were achieved, which was almost two orders of magnitude lower than previously reported values. The results were attributed to the increased nitrogen incorporation, and the presence of electrically active defects which leads to an increase in conduction in the nanocarbon. Further a study of light phosphorus doped layers using similar methods with Ti/Pt/Au contacts again yielded a low contact resistivity of about 9.88 x 10^-2 Ωcm^2 which is an interesting prospect among lightly doped diamond films for applications in devices such as transistors. In addition, for the first time, hafnium was substituted for Ti in the contact stack (Hf/Pt/Au) and studied on nitrogen doped nanocarbon films, which resulted in low contact resistivity values on the order of 10^-2 Ωcm^2. The implications of the results were discussed, and recommendations for improving the experimental process was outlined. Lastly, a method for the selective area growth of nanocarbon was developed and studied and the results provided an insight into how different characterizations can be used to confirm the presence of the nanocrystalline diamond material, the limitations due to the film thickness was explored and ideas for future work was proposed.
ContributorsAmonoo, Evangeline Abena (Author) / Thornton, Trevor (Thesis advisor) / Alford, Terry L (Thesis advisor) / Anwar, Shahriar (Committee member) / Theodore, David (Committee member) / Arizona State University (Publisher)
Created2023
Description
Thin films have been widely used in various applications. This research focuses on the characterization of novel thin films in the integrated circuits and photovoltaic techniques. The ion implanted layer in silicon can be treated as ion implanted thin film, which plays an essential role in the integrated circuits fabrication. Novel rapid annealing methods, i.e. microwave annealing and laser annealing, are conducted to activate ion dopants and repair the damages, and then are compared with the conventional rapid thermal annealing (RTA). In terms of As+ and P+ implanted Si, the electrical and structural characterization confirms that the microwave and laser annealing can achieve more efficient dopant activation and recrystallization than conventional RTA. The efficient dopant activation in microwave annealing is attributed to ion hopping under microwave field, while the liquid phase growth in laser annealing provides its efficient dopant activation. The characterization of dopants diffusion shows no visible diffusion after microwave annealing, some extent of end range of diffusion after RTA, and significant dopant diffusion after laser annealing.
For photovoltaic applications, an indium-free novel three-layer thin-film structure (transparent composited electrode (TCE)) is demonstrated as a promising transparent conductive electrode for solar cells. The characterization of TCE mainly focuses on its optical and electrical properties. Transfer matrix method for optical transmittance calculation is validated and proved to be a desirable method for predicting transmittance of TCE containing continuous metal layer, and can estimate the trend of transmittance as the layer thickness changes. TiO2/Ag/TiO2 (TAgT) electrode for organic solar cells (OSCs) is then designed using numerical simulation and shows much higher Haacke figure of merit than indium tin oxide (ITO). In addition, TAgT based OSC shows better performance than ITO based OSC when compatible hole transfer layer is employed. The electrical and structural characterization of hole transfer layers (HTLs) in OSCs reveals MoO3 is the compatible HTL for TAgT anode. In the end, the reactive ink printed Ag film for solar cell contact application is studied by characterizing its electromigration lifetime. A percolative model is proposed and validated for predicting the resistivity and lifetime of printed Ag thin films containing porous structure.
For photovoltaic applications, an indium-free novel three-layer thin-film structure (transparent composited electrode (TCE)) is demonstrated as a promising transparent conductive electrode for solar cells. The characterization of TCE mainly focuses on its optical and electrical properties. Transfer matrix method for optical transmittance calculation is validated and proved to be a desirable method for predicting transmittance of TCE containing continuous metal layer, and can estimate the trend of transmittance as the layer thickness changes. TiO2/Ag/TiO2 (TAgT) electrode for organic solar cells (OSCs) is then designed using numerical simulation and shows much higher Haacke figure of merit than indium tin oxide (ITO). In addition, TAgT based OSC shows better performance than ITO based OSC when compatible hole transfer layer is employed. The electrical and structural characterization of hole transfer layers (HTLs) in OSCs reveals MoO3 is the compatible HTL for TAgT anode. In the end, the reactive ink printed Ag film for solar cell contact application is studied by characterizing its electromigration lifetime. A percolative model is proposed and validated for predicting the resistivity and lifetime of printed Ag thin films containing porous structure.
ContributorsZhao, Zhao (Author) / Alford, Terry L. (Thesis advisor) / Anwar, Shahriar (Committee member) / Theodore, David (Committee member) / Arizona State University (Publisher)
Created2017