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Full-Text Articles in Engineering

Rational Design Of Non-Noble Metal Intermetallic Compounds With Tunable Surface And Catalytic Chemistry Via Combined Computational And Experimental Method, Yuanjun Song Dec 2020

Rational Design Of Non-Noble Metal Intermetallic Compounds With Tunable Surface And Catalytic Chemistry Via Combined Computational And Experimental Method, Yuanjun Song

Doctoral Dissertations

This study focuses upon understanding and rationally tuning the surface reactivity towards C, H, and O of non-noble metal intermetallic compounds (IMCs) catalysts in olefin production and hydrocarbons reforming reactions. In these reactions, different degrees of surface reactivity towards C, H, and O are required to achieve high activity and selectivity as well as stability. A combined computational and experimental method was performed to build this understanding how to rationally design catalysts. Investigations based on quantum chemical calculations indicate surface reactivity towards C, H, and O is a function of element size of constituent elements as well as bulk and …


Development And Characterization Of Robust And Cost-Effective Catalysts For Selective Biomass Upgrading To Fuels And Chemicals By Deoxydehydration, Bryan E. Sharkey Jul 2020

Development And Characterization Of Robust And Cost-Effective Catalysts For Selective Biomass Upgrading To Fuels And Chemicals By Deoxydehydration, Bryan E. Sharkey

Doctoral Dissertations

The use of biomass-derived ligno-cellulose as a possible alternative source of fuels and chemicals to fossil-based hydrocarbons, however, biomass offers many challenges based on processing and its high oxygen content. One promising upgrading route is deoxydehydration, a reaction which combines a deoxygenation by a sacrificial reductant and dehydration in a single step to selectively convert vicinal diols into an olefin. This reaction is highly selective when using homogeneous oxo-rhenium catalysts, which can easily undergo the necessary changes in coordination and oxidation state, however the high cost of rhenium and difficulty of homogeneous catalyst recovery make these catalysts untenable for large …


Engineered Nanoparticles For Site-Specific Bioorthogonal Catalysis: Imaging And Therapy, Riddha Das Mar 2020

Engineered Nanoparticles For Site-Specific Bioorthogonal Catalysis: Imaging And Therapy, Riddha Das

Doctoral Dissertations

Bioorthogonal catalysis offers a strategy for chemical transformations complementary to bioprocesses and has proven to be a powerful tool in biochemistry and medical sciences. Transition metal catalysts (TMCs) have emerged as a powerful tool to execute selective chemical transformations, however, lack of biocompatibility and stability limits their use in biological applications. Incorporation of TMCs into nanoparticle monolayers provides a versatile strategy for the generation of bioorthogonal nanocatalysts known as “nanozymes”. We have fabricated a family of nanozymes using gold nanoparticles (AuNPs) as scaffolds featuring diverse chemical functional groups for controlled localization of nanozymes in biological environments, providing unique strategies for …


Nanoengineered Core-Shell Structures Using Tubile Halloysite Clay, Yusuf A. Darrat Jan 2020

Nanoengineered Core-Shell Structures Using Tubile Halloysite Clay, Yusuf A. Darrat

Doctoral Dissertations

Halloysite nanotubes are a versatile nanomaterial that can be used in a wide variety of applications. They have a unique structure which could be described as a flat material that consists of silica on one side and alumina on the other; this structure is rolled up in a way naturally forming an internal 10-15 nm lumen and interlayer spacing. This could lead to many potential applications for example incorporating halloysite as a template material or as a support structure. They are an inexpensive clay material that is available in large quantities (thousands of tons), so they may be practically used …