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 29 for “"Na-ion"”.
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Ab Initio Anode Materials Discovery for Li- and Na-Ion Batteries
… study anode materials for lithium- and sodium- ion batteries (LIBs and NIBs, respectively). Initial work relates to a theoretical structure prediction study of the lithium and sodium phosphide systems in the context of phosphorus anodes as candidates for LIBs and NIBs. The work reveals new Li-P …
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COMPUTATIONAL STUDIES OF ORGANIC ELECTRODE MATERIALS FOR LI AND NA ION BATTERIES
… are promising to be used as electrodes for Li/Na ion batteries, which can be sustainable and scalable. Moreover, many organic electrode materials provide similar performance in Li and Na ion batteries, which is not the case for most inorganic materials. As one of post-Li ion batteries, Na ion …
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Multiscale chemistry and design principles of stable cathode materials for Na-ion and Li-ion batteries
Alkali-ion batteries have revolutionized modern life through enabling the widespread application of portable electronic devices. The call for adapting renewable energy in many applications will also see an increase in the demand of alkali-ion batteries, specially to account for the intermittent …
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Electrochemical analysis of interface structures and functionalization in graphitic carbons for Na-ion and flow battery electrodes
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2025-05-01
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Microrecycling of Batteries and Carbon-Containing Waste for Manufacturing Different Materials
… energy storage systems—driven by the expansion of electronics, electric vehicles, electric transportation, and grid storage—is fueling both the surge in battery production and the accumulation of spent batteries after their service life. Currently, lithium-ion (Li-ion) batteries dominate the …
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Ab-initio simulation of novel solid electrolytes
All solid-state batteries may be a solution to some of the problems facing conventional organic electrolytes in Li and Na-ion batteries, but typically conductivities are very low. Reports of fast lithium conduction in Li 0GeP 2S1 2 (LGPS), with conductivity of 12 mS/cm at room temperature, have …
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Heteroatom-Doped Graphitic Materials for Energy Storage
The transition to a zero-carbon society will require a new generation of energy storage technology with high energy density. Central to this are novel electrode materials that possess high specific capacities (mAh g−1) and long cycling lifetimes. Modern lithium-ion batteries utilise graphite as an …
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Macroporous metal oxide battery electrode performance analysis and operando spectroscopy
Vast consumption of fossil fuels has catapulted greenhouse gas emissions which have contributed to increasing the global average temperature at a frightening rate. Thankfully, sun, wind and tides have massive potential to provide energy in an environmentally friendly way. However, maintaining these …
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Magnetic Resonance Studies of a Sodium-Ion Battery Cathode: Experiment and Theory
Sodium-ion batteries (NIBs) are increasingly of interest in modern society as more affordable energy storage alternatives to lithium-ion batteries. At present, the electrochemical performance—the charge/discharge rate, lifetime and capacity—of NIBs is not optimised for practical applications and …
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Phase transformations in layered electrode materials for sodium ion batteries
In this thesis, I investigate sodium ion intercalation in layered electrode materials for sodium ion batteries. Layered metal oxides have been at the forefront of rechargeable lithium ion battery technology for decades, and are currently the state of the art materials for sodium ion battery …
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Molecular insights into alternating access mechanism of secondary active transporters from molecular dynamics simulations
… diverse chemical species, e.g., nutrients, reaction precursors and products, and chemicals transmitting signals, across the cellular membrane. As a major class of membrane transporters, secondary active transporters couple vectorial translocation of one solute, typically Na+ or H+ ions, along its …
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Complex botanical natural products: Synthesis of cephalotaxus esters and of the C19-diterpenoid skeleton of aconitum and delphinium alkaloids
… P-388 murine leukemia cells. While direct acylation of cephalotaxine has been reported to be difficult, the construction and acylation of cephalotaxine using a β-lactone acyl chain surrogate in the synthesis of anhydroharringtonine, deoxyharringtonine, homodeoxyharringtonine, and …
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A generalized form for frequency-response modeling of battery energy storage systems
… commercial battery chemistries: a 1.5 Ah lithium-ion (LiFePO4), a 5 Ah lithium-ion (NMC811), and a 1.5 Ah sodium-ion (NaFePO4) cell. An extensive experimental protocol was executed, subjecting the cells to conditions including temperatures from −20°C to +60°C, states of charge from 0-100%, aging …
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Kinetic Analysis of the Ion Exchange of Sodium from Subbituminous Coal
<p>The removal of Na from subbituminous coal by ion ex change was investigated on a batch basis with H-ion donated by dilute aqueous The exchange of K, Mg, Ca, and A1 from the coal was also observed. The four parameters stud ied were initial H2SC>4 concentration, coal particle size, residence time, …
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Molecular-level interphase design for sustainable batteries
Since the first commercialization of Li-ion batteries (LIBs) in 1991, they have continued to power the society for decades. However, the ever-growing demands pose challenges to their sustainability in terms of restricted energy density, inadequate cycle life, and limited key resources. In the first …
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Multi-redox active polyanionic cathodes for alkali-ion batteries
In order for alkali-ion batteries to gain widespread adoption as the energy storage technology of choice for transportation and grid applications, their energy must be improved. One key step towards this necessary improvement is the development of new battery cathode materials. In this thesis, two …
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Ab initio prediction of thermodynamics in alkali metal-air batteries
… However, the current state-of-the-art Li-ion batteries only exhibit energy densities near ~150 Wh/kg, limiting the long-range driving of EVs with one charge and hindering their wide-scale commercial adoption.1-3 Recently, non-aqueous metal-O₂ batteries have drawn attention due to their …
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Paramagnetic resonance studies of trivalent dysprosium and cerium in the cubic host dicesium sodium yttrium hexachloride
We have used X-band electron paramagnetic resonance (EPR) to study octahec1rally coordinated rare earth ions in the host lattice CSNaYC16, This host is ,ideal for EPR work, because all the trivalent rare earths will substitute into the Y3+ site which has exactly octahedral symmetry, Previous EPR …
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Ab Initio Prediction of Metal Phosphide Anode Materials for Lithium and Beyond Lithium Batteries
… on non-renewable energy resources. While Li-ion batteries are the state-of-the-art, their graphite anodes are limited by a theoretical capacity of 372 mAh/g. Phosphorus is one alternative which has a high capacity of 2596 mAh/g and can alloy with both Li$^+$ and Na$^+$ ions, but suffers from …
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Computational studies of the structure, dynamics, and catalysis of the hepatitis delta virus ribozyme
Ribozymes represent a unique class of RNA that is capable of catalyzing biochemical reactions. Since their discovery three decades ago, ribozymes have been shown to be involved in numerous crucial biological processes, such as gene regulation, translation, and RNA splicing. Similar to protein …
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