Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 57 for “"battery materials"”.
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FIRST-PRINCIPLES SIMULATIONS OF SOLID STATE BATTERY MATERIALS
In this work materials with possible applications in all solid state Li-ion batteries are explored using computational methods within the framework of density functional theory and kinetic Monte Carlo. The density functional theory simulations use fundamental quantum mechanics along with some …
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Electrodeposited macroporous vanadium oxide Li-ion battery materials
Enhanced battery materials are an important area of research due to the broad range of applications and the need for high capacity and high cycling stability batteries for enable the future electric vehicles and consumer electronics. This work reports on the electrodeposition of 3D macroporous …
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Literature mining on scientific publications of battery materials
… from unstructured literature text, e.g., battery research papers. To this end, this thesis aims at achieving three goals, i.e., i) creating large-scale battery-specific databases, ii) using advanced NLP models to extract and summarise useful information from the literature, and iii) …
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High accuracy computational methods for lithium ion battery materials
… has proven crucial for advancing the Lithium-ion battery technology. However, recent areas of research, ranging from studying the diædiffusion of Lithium ions across solid polymer or ionic salt electrolytes, to the calculation of the voltage curve and discharge rate for complex transition metal …
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Better multivalent battery materials through diffusion high-throughput computations
Accelerating the discovery of advanced materials is essential for human beings. However, the traditional trial-and-error way of developing materials is often very empirical and time- consuming. In 2011, the launch of Materials Genome Initiative marked a large-scale collaboration between computer …
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Computational Modeling Of High-Performance Nickel-Metal Hydride Battery Materials
… hydride (NiMH) batteries, research into this battery chemistry will improve the hybrid vehicle driving experience, extending electric-only driving ranges while reducing emissions and using less gasoline. The transfer, storage and transport of protons and electrons depend strongly on the …
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Interrogating bulk and interfacial decay pathways in electroactive battery materials
Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2022-11-11 without embargo terms
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First Principles Investigations of Solid-Solid Interfaces in Lithium Battery Materials
… interfaces for inorganic solid electrolyte materials, especially those related to Li$_3$PS$_4$. I develop a general scheme based on the interface energy for analyzing interfaces between crystalline solids, quantitatively including the effects of varying configurations and lattice strain. …
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Understanding Transition Metal Dissolution from Battery Materials with Solution NMR Methods
… use lithium transition metal oxides as cathode materials, many of which can undergo dissolution of the transition metal(s) into the electrolyte solution. Transition metal dissolution can lead to cathode restructuring, electrolyte degradation, thickening of the anode solid electrolyte interphase, …
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FIRST-PRINCIPLES INVESTIGATION OF ELECTRONIC PROPERTIES IN SODIUM-ION ELECTROLYTES FOR SOLID-STATE BATTERY MATERIALS
… that contribute to unique properties of materials such as diffusion mechanisms of ions within solid-state materials, conductivity, and ground state structures. The goal of this body of work is to understand how this relationship can give us insight into materials that might have use in an …
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Towards Realization of an Innovative Li-Ion Battery: Materials Optimization and System Up-Scalable Solutions
… by the introduction of environmentally friendly materials and the simplification of the device production process are intriguing challenges to promote the future widespread diffusion of LIBs. Moreover, the recent development of the next-generation electronic devices promoted a new research field …
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Revealing ion transfer kinetics and charge dynamics at operating battery materials through scanning electrochemical microscopy
… charge transfer plays a critical role in battery technologies, where it governs the rate of reliable ion or electron movement to and from a battery electrode during charge/discharge. As such, issues with performance are often linked to trouble at the interface across many technologies. …
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Characterization of phase and structural evolution in battery materials using advanced electron imaging and diffraction methods
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-12-01
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Development of first principles paramagnetic NMR methodologies to probe the complex local structural properties of Li-ion battery materials
… of complex paramagnetic solids such as cathode materials for (rechargeable) batteries, NMR represents an invaluable tool to provide insight into the structural and electronic properties of the systems, which are at the base of the electrochemical performance of these materials. However, the …
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Mechanical design of flow batteries
… Researchers are searching for next-generation battery materials, and this thesis presents a systems analysis encompassing static and moving electrode architectures that identifies which architecture is most appropriate for which materials and how to modify those materials to decrease cost and …
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Sustainable battery engineering: single-step battery recycling, battery modeling, and battery electrolyte analysis
The application of battery systems is continually growing. An energy device originally just found in phones and laptops moved to electric vehicles and continues to move on into other applications on earth and potentially in space. As batteries become more prolific, the problems surrounding …
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Heterogeneous Redox Chemistries in Layered Oxide Materials for Lithium-Ion Batteries
The invention of the lithium-ion battery has revolutionized the passenger transportation field in recent years, and it has emerged as one of the state-of-the-art solutions to address greenhouse gases emission and air pollution issues. Layered oxide lithium-ion battery cathode materials have become …
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Semi-solid redox flow battery
materials used in Li-ion batteries and the design and functioning of a redox flow cell. The use of Li-ion battery materials offers significant increases in energy and power density (200 Wh/kg compared to 25-35 Wh/kg for current commercial vanadium redox batteries). The implementation of a redox …
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NMR Characterization of Novel Materials for Battery Electrolyte Applications
… motivations to accelerate research in battery technology. In addition, the risk factors generated by the high heat generation and flammability of the batteries are being addressed by inventing new renewable or non-renewable energy resources that do not release greenhouse gases into the …
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Self-assembly of conformal polymer electrolyte film for lithium ion microbatteries
… predict the behavior of combinations of common battery materials, specifically the cathode substrate lithium cobalt oxide (LCO) and the polymer separator poly(ethylene oxide). These predictions were first tested qualitatively using hexane and PTFE, which have well-established surface energies, …
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