Technology has advanced rapidly, especially in the twenty-first century, influencing our day-to-day life on unprecedented levels. Most such advances in technology are closely linked to, and often driven by, the discovery and design of new materials. It follows that the discovery of new materials can not only improve existing technologies...
Microkinetic modeling is a powerful tool for creating dynamic and quantitative descriptions of complex systems. These detailed mechanistic models compliment experimental techniques and provide an ability to achieve deeper insights into chemical processes where numerous intermediates are highly reactive and difficult to quantify in the laboratory. This thesis discusses the...
Thin film oxidation is investigated using two modeling techniques in the interest of better understanding the roles of space charge and non-equilibrium effects.
An electrochemical phase-field model of an oxide-metal interface is formulated in one dimension and studied at equilibrium and during growth. An analogous sharp interface model is developed...
This work reports studies on the physical properties of collections of nanosheets. First, the configurations of graphene oxide sheets in solution are studied. Polarized optical microscopy reveals quickly and decisively that sheets remain flat and form lyotropic liquid crystals over a wide range of solvent conditions. When solvent conditions are...
Moving away from fossil fuels requires environmentally friendly and economically viable alternative energy sources. A wide adoption of new technologies for energy production and storage depends on better performing materials. Computational methods, such as electronic structure calculations and machine learning, hold the promise to work in conjunction with traditional experimentation...
Supported metal catalysts find many important uses in areas including chemical production, petroleum refining and emission control. The catalytic behavior of a supported metal catalyst is influenced by size and type of reaction sites on metal nanoparticles. For many structure insensitive reactions catalyzed by the supported metal catalysts, smaller metal...
Over the last 20 years a new field of amorphous transparent conducting oxides (a-TCOs) has developed. The amorphous nature of these films makes them well suited for large area applications. In addition, a-TCOs can be made at low temperatures and through solution processing methods. These assets provide promising opportunities to...
Atom probe tomography (APT) was used to analyze doping and alloying in low-dimensional electronic materials including thin film heterostructures, van der Waals materials, and colloidal quantum dots (QDs).
Firstly, APT was used to reveal structure-property relationship for low-dimensional thin film semiconductors used in electronic and opto-electronic devices. APT was shown...
Carbonate minerals are integral to life on earth, as reservoirs for CO2 in the earth’s natural carbon cycle and as the skeletal elements of abundant organisms like corals and plankton. Because of its relevance, availability, and low toxicity, calcium carbonate is also an important model system for phase transformations in...
High performance structural materials are needed for Naval applications which require an excellent combination of yield strength, low-temperature impact toughness, ductility, ballistic-resistance, and weldability. This research investigates precipitation-strengthened HSLA-115 steels and ballistic-resistant 10 wt. % Ni steels, which have emerged as promising alternatives to the widely used HSLA-100 steels for...