Index Catalog // ScholarsArchive@OSU

Using Computational Methods to Elucidate Reaction Mechanisms for Copper Catalyzed Reactions

Creator:: Caspary, Katherine E.
Abstract:: In this report, two studies are presented that utilize computations to predict and elucidate the reaction mechanisms of two different copper catalyzed reactions. Each study provides insight into the various chemical transformations, as well as the how and why behind regioselectivity and isotopic selectivity. The importance of this research is...
Resource Type:: Masters Thesis

Transition metal solar absorbers

Creator:: Altschul, Emmeline Beth
Abstract:: A new approach to the discovery of high absorbing semiconductors for solar cells was taken by working under a set of design principles and taking a systemic methodology. Three transition metal chalcogenides at varying states of development were evaluated within this framework. Iron pyrite (FeS₂) is well known to demonstrate...
Resource Type:: Masters Thesis

Development of perovskite thin films for use in piezoelectric based microelectromechanical systems

Creator:: Shelton, Christopher T.
Abstract:: The lead-zirconate-titanate (PZT) solid solution system is currently the workhorse of piezoelectric-based microelectromechanical systems (MEMS) research. Among bulk materials it is known to be one of the strongest piezoelectrics, with extremely high piezoelectric coefficients and electro-mechanical coupling factors. Reproducing these exceptional qualities in thin film form, however, requires precise tuning...
Resource Type:: Masters Thesis

Structural Elucidation of Metal-Oxo Systems by X-Ray Scattering Methods

Creator:: Kozma, Karoly
Abstract:: Metal-oxo clusters are discrete molecular metal-oxides. Most metals form numerous cluster compounds that can be ligated, unligated, charged or neutral, controlling their solubility in water and/or organic solvents. They are important species to study reaction pathways from the monomeric building units to the bulk metal oxides, and have many application...
Resource Type:: Dissertation

Substitutional Effects on the Electromechanical Properties of Lead-free, Piezoelectric (Na₀.₅Bi₀.₅)TiO₃-BaTiO₃ (NBT-BT)

Creator:: McQuade, Ryan R.
Abstract:: This work investigates the effect of cation substitution on the properties of the lead-free, solid solution (Na₀.₅Bi₀.₅)TiO₃-BaTiO₃ (NBT-BT). Substitution into NBT-BT increases disorder and increases the relaxor ferroelectric properties. These relaxor ferroelectric materials show large piezoelectric strains that can be utilized in actuator applications. Ceramic samples were prepared using standard...
Resource Type:: Dissertation
Full Text:: committee members, David Ji, David Cann, Mas Subramanian, and David McIntyre, for always being available

Tracking Excited State Proton Transfer and Inhibition with Ultrafast Raman and Transient Absorption Spectroscopy

Creator:: Oscar, Breland G.
Abstract:: In this dissertation, excited state proton transfer (ESPT) and its inhibition in solution and protein environments are revealed using both femtosecond transient absorption (fs-TA) spectroscopy and femtosecond stimulated Raman spectroscopy (FSRS). Using a tunable Raman pump to enhance transient vibrational features of the photoacidic chromophore HPTS in methanol and methanol...
Resource Type:: Dissertation

On the Properties and Characteristics of Solution Processed Hafnium Based Thin-Films from Aqueous Precursors

Creator:: Decker, Shawn R.
Abstract:: Aqueous hydroxo Hf nanoclusters enable studies to identify and codify steps in the deposition of Hf-based oxide thin films from solution precursors. HfOCl2 reacts with combinations of H2O2(aq), acids, and TMAH to produce polymetal species at high pH and low pH. X-ray scattering and spectroscopic methods reveal the nature of...
Resource Type:: Dissertation

Aqueous niobium chemistry at low pH : new precursors for oxide thin films

Creator:: Park, Deok-Hie
Abstract:: Phosphate and peroxide stabilize new oxo-hydroxo niobium clusters in water at low pH. The clusters open a new chapter in aqueous niobium chemistry under acidic conditions. The clusters also produce atomically smooth, amorphous niobium oxide phosphate (NbPOx) thin films. Reaction pathways from cluster solutions to amorphous niobium oxide phosphate solids...
Resource Type:: Dissertation
Full Text:: Nyman, Mas Subramanian, David Cann, and Brady Gibbons. Their lectures during the coursework and

Using Computational Studies to Characterize Aqueous Metal Clusters : From Spectroscopy to Stability

Creator:: Wills, Lindsay A.
Abstract:: In this dissertation, the spectroscopic properties and thermodynamic stability of a class of materials known as metal oxo and hydroxo clusters are studied. In aqueous solutions, many metals can aggregate into discrete clusters of metals bridged by oxo or hydroxo ligands. These clusters are of particular interest to us for...
Resource Type:: Dissertation
Full Text:: energy each member of my committee, Professor Douglas Keszler, Professor Mas Subramanian, Professor

Exploring the Distinct Solution Behavior of Isostructural Polycoltanates

Creator:: Fullmer, Lauren
Abstract:: Polyoxometalates are a rapidly growing class of discrete metal oxide clusters with a wide range of applications including functional materials. These anionic clusters of the group V and VI transition metals are inexpensive and non-toxic. Within group V polyoxometalates, niobium and tantalum chemistry has been underdeveloped owing to their unique...
Resource Type:: Dissertation

ScholarsArchive@OSU

Using Computational Methods to Elucidate Reaction Mechanisms for Copper Catalyzed Reactions

Transition metal solar absorbers

Development of perovskite thin films for use in piezoelectric based microelectromechanical systems

Structural Elucidation of Metal-Oxo Systems by X-Ray Scattering Methods

Substitutional Effects on the Electromechanical Properties of Lead-free, Piezoelectric (Na₀.₅Bi₀.₅)TiO₃-BaTiO₃ (NBT-BT)

Tracking Excited State Proton Transfer and Inhibition with Ultrafast Raman and Transient Absorption Spectroscopy

On the Properties and Characteristics of Solution Processed Hafnium Based Thin-Films from Aqueous Precursors

Aqueous niobium chemistry at low pH : new precursors for oxide thin films

Using Computational Studies to Characterize Aqueous Metal Clusters : From Spectroscopy to Stability

Exploring the Distinct Solution Behavior of Isostructural Polycoltanates

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