This dissertation focuses on the study of the superionic state in multicomponent systems, where the smaller component exhibits delocalization and mobility while still maintaining system compactness through component attractions. Superionic behavior is widely observed in various systems and plays a crucial role in ceramic superionic conductors, which offer high ion...
One of the greatest challenges in heterogeneous catalysis is the rational design and development of new catalytic systems, due to synthetic limitations in the design of solid catalysts and inhomogeneity of chemical sites at solid surfaces. This obfuscates understanding of catalyst behavior and slows improvements of processes. One approach to...
Clean water supplies are required for industry and general life. However, water shortages dueto pollution and human activity are increasingly common, and new, more efficient, materials need
to be made to increase clean water supplies. To do this, fundamental information on the interaction
of water with ions at the atomic...
The continuing increase in atmospheric CO2 to concentrations exceeding 400 ppm has attracted considerable attention from both scientists and policymakers. Industrial fossil fuel consumption generates a significant amount of CO2 emissions, and in particular, energy-intensive molecular separations that require thermal processes, such as distillation, drying, or evaporation, are responsible for...
Despite the increasing interest in biogenic secondary organic aerosols (SOAs), their role in the climate system remains the greatest source of uncertainty in global models. Cloud formation, critical for the net cooling effect provided by cloud cover, is dependent on the abundance of SOA particles and their ability to activate...
Metalloenzymes catalyze remarkable reactions in Nature using transition metal ions. Common earth-abundant metals like copper, iron, zinc, and magnesium catalyze reactions that are the basis of life. These metal sites lend their chemistries to facilitate these reactions, making studying the structure and properties important in understanding the enzymes' abilities and...
Recent progress in semiconductor synthesis and photophysics has revealed a host of new materials with exciting properties for applications in optoelectronic devices such as sensors, photovoltaics, solid state lighting, and more. One of the most significant recent additions to the field is the class of hybrid and inorganic materials that...
Early transition metal organometallics chemisorbed on extremely Brønsted acidic sulfated metal oxides such as sulfated alumina (AlS) and sulfated zirconia (ZrS) produce highly active single-site catalysts for olefin polymerization, alkene and arene hydrogenation, and alkane hydrogenolysis, typically with a large percentage of catalytically significant sites. The low support conjugate basicity...
Heterogenous catalysis is the pillar of chemical production and a crucial aspect for optimization toward a sustainable future. To improve the current design of heterogeneous catalysts of maximal activity and product selectivity, gaining fundamental understanding of the catalytic active sites is crucial. The nature of active sites has been the...
Understanding the characteristics of interfaces between materials and solvent media such as structure, chemistry, and charge remains crucial to determining the properties and performance of numerous systems and technologies. This thesis focuses specifically on characterizing the interactions of water at oxide interfaces. A large collection of questions remains unanswered about...