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Skip to Search Results- 1Bathla, Sagar
- 1Chehel Amirani, Morteza
- 1Harris, Kristopher J.
- 1Jiang, Shang
- 1Mishra, Vidyanshu
- 1Nazemi Ashani,Mahsa
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Atomistic Approach towards Sodium Citrate Role on Surface Properties of Silica and Clay Minerals
DownloadFall 2022
The use of sodium citrate as a secondary processing aid in combination with caustic significantly improved bitumen recovery, specifically in poor oil sands ores. The role of sodium citrate on wettability alteration of solid surfaces, benefiting bitumen liberation as well as improving bitumen...
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Computational Investigation of Electrical Conductivities and Magnetism of Phosphonate Metal-Organic Frameworks and Frontier Orbital Gaps, Structure, and Proton Transfer Mechanisms in Phosphonate Hydrogen-Bonded Organic Frameworks
DownloadSpring 2024
The study of metal-organic frameworks (MOFs) and hydrogen-bonded organic frameworks (HOFs) has gained much interest over the last decade. MOFs and HOFs are constructed through the self-assembly of organic building units and metals (in the case of MOFs), giving rise to a diverse range of...
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Development and Application of DFT Based Methods for Studying Transition Metal Oxide Catalysis
DownloadFall 2022
Transition metal oxides (TMOs) are commonly used as catalysts and catalyst supports in a variety of chemical transformations. Computational tools like density functional theory (DFT) are often used to study TMO catalyzed reactions, as TMOs are strongly correlated systems which require the...
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Fall 2024
Transition metal carbide catalysts (TMCs), particularly Molybdenum carbide (Mo2C), have emerged as a cost-effective and promising alternative to precious-metal-based catalysts (Pt, Ru) for the hydrodeoxygenation (HDO) of biomass-derived species, including bio-oil. However, low selectivity towards...
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Spring 2016
Hybrids formed by biological entities and human-made nano-structures have been intensively studied in recent years due to their very interesting properties and applications. DNA-carbon nanotube (CNT) hybrid is one such material and the motivation of this PhD study. The interaction of DNA building...
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Spring 2023
In this thesis, rare-earth-containing chalcogenides and oxychalcogenides were sought with the aim to identify new crystal structures and to evaluate their potential as optical and thermoelectric materials. They were synthesized in the form of pure microcrystalline powders and single crystals...
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Fall 2009
This thesis is concerned with applications of modern solid-state NMR spectroscopy. Investigations of three quite different types are undertaken, each of which attempt to advance knowledge in the fields of chemistry and NMR. The goal of each project is to obtain insight into the effects of...