Mechanics of Materials Commons^™

Computational Design Of Two-Dimensional Transition Metal Dichalcogenide Alloys And Their Applications, John Douglas Cavin

Arts & Sciences Electronic Theses and Dissertations

The discovery of bronze as an alloy of copper and tin is arguably the earliest form of material design, dating back thousands of years. In contrast, two-dimensional materials are new to the 21st century. The research presented in this dissertation is at the intersection of alloying and two-dimensional materials. I specifically study a class of two-dimensional materials known as transition metal dichalcogenides (TMDCs). Because of the large number of transition metals, there are many combinations of TMDCs that can be alloyed, making experimental exploration of the phase space of possible alloys unwieldly. Instead, I have applied first-principles methods to study …

Investigating The Influence Of Gold Nanoparticles On The Photocatalytic And Catalytic Reactivity Of Porous Tungsten Oxide Microparticles, Daniel P. Depuccio

Graduate College Dissertations and Theses

Tungsten oxide (WO3) is a semiconducting transition metal oxide with interesting electronic, structural, and chemical properties that have been exploited in applications including catalysis, gas sensing, electrochromic displays, and solar energy conversion. Nanocrystalline WO3 can absorb visible light to catalyze heterogeneous photooxidation reactions. Also, the acidity of the WO3 surface makes this oxide a good thermal catalyst in the dehydration of alcohols to various industrially relevant chemicals. This dissertation explores the photocatalytic and thermal catalytic reactivity of nanocrystalline porous WO3 microparticles. Furthermore, investigations into the changes in WO3 reactivity are carried out after modifying the porous WO3 particles with gold …

Alkali Promoted Molybdenum (Iv) Sulfide Based Catalysts, Development And Characterization For Alcohol Synthesis From Carbon Monoxide And Hydrogen, Belinda Delilah Molina

Open Access Theses & Dissertations

For more than a century transition metal sulfides (TMS) have been the anchor of hydro-processing fuels and upgrading bitumen and coal in refineries worldwide. As oil supplies dwindle and environmental laws become more stringent, there is a greater need for cleaner alternative fuels and/or synthetic fuels. The depletion of oil reserves and a rapidly increasing energy demand worldwide, together with the interest to reduce dependence on foreign oil makes alcohol production for fuels and chemicals via the Fischer Tropsch synthesis (FTS) very attractive. The original Fischer-Tropsch (FT) reaction is the heart of all gas-to-liquid technologies; it creates higher alcohols and …

Preparation Of Mesoporous Silica Supported Ruthenium Oxides And The Application And Kinetic Study In The Catalysis Of Water Oxidation, Yang Zhang

Open Access Dissertations

Photo-induced water splitting of water into H2 and O2 has been a major focus in the development of clean and renewable energy. The development of viable and efficient catalysts that facilitates O2 production remains the major challenge in the study of the corresponding half-reaction of water oxidation. There are plenty of metal oxides reported active in the catalysis of water oxidation. However, several important performance bench marks of those materials, such as the non-stoichiometric production of O2, slow reaction rate and/or low quantum efficiency, remain to be improved.

Ruthenium oxide (RuO2) has long been known as one of the most …