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Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Periodic Trends In The Infrared And Optical Absorption Spectra Of Metal Chalcogenide Clusters, Alain Ward
Theses and Dissertations
We have investigated the Optical absorption, Infrared spectra, Binding Energies, and various other cluster properties to determine the existence of periodic trend for Transition Metal Chalcogenide Clusters ligated with CO ligands. We were motivated to answer the question of whether periodic behavior can be observed in properties of octahedral metal-chalcogenide clusters. We have used the Amsterdam Density Functional code to calculate the electronic structure of Transition Metal Chalcogenide Clusters using gradient-corrected density functional theory. We determined the existence of several periodic trends in properties of octahedral Transition Metal Chalcogenide Clusters TM6Se8(CO)6. To investigate these …
Crystal Growth And Manipulation Of Intercalated Chalcogenides As Superconductors And Topological Insulators, Nathaniel Smith
Crystal Growth And Manipulation Of Intercalated Chalcogenides As Superconductors And Topological Insulators, Nathaniel Smith
Theses and Dissertations
Superconductors are unusual quantum materials which offer no resistance to electric current. The fascinating physics of this phenomenon is complemented by wide-ranging technical applications from power transmission to magnetic levitation. Commercially successful superconductors are found in powerful magnets in medical imaging, particle accelerators, and next-generation quantum computing. In my effort to uncover the mysteries and fundamental mechanisms of superconductivity, I use an array of techniques to synthesize and study single crystals of unconventional superconductors including the iron telluride and bismuth selenide family of superconductors. My study of atomic valence and crystal structure in iron telluride has uncovered previously unknown chemical …
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Investigations Into Structure And Properties Of Atomically-Precise Transition Metal-Chalcogenide Clusters Of Crte And Ligated Cr6te8(Pet3)6, Anthony F. Pedicini
Theses and Dissertations
The complete understanding of a clusters electronic structure, the primary mechanisms for its properties and stabilization is necessary in order to functionalize them for use as building blocks within novel materials. First principle theoretical studies have been carried out upon the electronic properties of CrxTey (x = 1 – 6, y = 0 – 8, x + y ≤ 14), as well as for the larger triethylphosphine (PEt3) ligated cluster system of Cr6Te8(PEt3)6. Together, we aim to use the information garnered from the smaller clusters to address …