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Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen
Molecular Understanding Of Zwitterions And Quantum Computing For Sustainability, Manh Tien Nguyen
Theses and Dissertations--Chemical and Materials Engineering
The sustainable development of society needs sustainable energy solutions and the mitigation of greenhouse gas emissions. One key subject in this area is the development of safe and efficient ion-based batteries. Moreover, CO2 capture is a crucial pathway in mitigating emissions from the combustion of fossil fuels. Ongoing efforts are to improve both technologies' safety and efficiency. This thesis presents our efforts to conduct computational research on understanding advanced zwitterionic electrolytes and CO2 capture. Chapters 2-4 illustrate the computational research to understand ionic solvation in zwitterionic electrolytes. Solid-state electrolytes are essential for safer batteries. While solid polymer electrolytes …
Tailoring The Pore Environment Of Metal-Organic And Molecular Materials Decorated With Inorganic Anions: Platforms For Highly Selective Carbon Capture, Patrick Stephen Nugent
Tailoring The Pore Environment Of Metal-Organic And Molecular Materials Decorated With Inorganic Anions: Platforms For Highly Selective Carbon Capture, Patrick Stephen Nugent
USF Tampa Graduate Theses and Dissertations
Due to their high surface areas and structural tunability, porous metal-organic materials, MOMs, have attracted wide research interest in areas such as carbon capture, as the judicious choice of molecular building block (MBB) and linker facilitates the design of MOMs with myriad topologies and allows for a systematic variation of the pore environment. Families of MOMs with modular components, i.e. MOM platforms, are eminently suitable for targeting the selective adsorption of guest molecules such as CO2 because their pore size and pore functionality can each be tailored independently. MOMs with saturated metal centers (SMCs) that promote strong yet reversible …