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Full-Text Articles in Physical Sciences and Mathematics

Crystal Structure, Electronic Structure, And Optical Properties Of The Novel Li4cdge2s7, A Wide-Bandgap Quaternary Sulfide With A Polar Structure Derived From Lonsdaleite, Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon I. Jang, Jennifer A. Aitken, A. Sarjeant Sep 2022

Crystal Structure, Electronic Structure, And Optical Properties Of The Novel Li4cdge2s7, A Wide-Bandgap Quaternary Sulfide With A Polar Structure Derived From Lonsdaleite, Andrew J. Craig, Seung Han Shin, Jeong Bin Cho, Srikanth Balijapelly, Jordan C. Kelly, Stanislav S. Stoyko, Amitava Choudhury, Joon I. Jang, Jennifer A. Aitken, A. Sarjeant

Chemistry Faculty Research & Creative Works

The novel quaternary thiogermanate Li4CdGe2S7 (tetralithium cadmium digermanium heptasulfide) was discovered from a solid-state reaction at 750 °C. Single-crystal X-ray diffraction data were collected and used to solve and refine the structure. Li4CdGe2S7 is a member of the small, but growing, class of I4-II-IV2-VI7 diamond-like materials. The compound adopts the Cu5Si2S7 structure type, which is a derivative of lonsdaleite. Crystallizing in the polar space group Cc, Li4CdGe2S7 contains 14 crystallographically unique ions, all residing on …


Synthesis And Physicochemical Characterization Of Noncentrosymmetric Quaternary Sulfides With Potential Nonlinear Optical Applications, Andrew J. Craig Aug 2022

Synthesis And Physicochemical Characterization Of Noncentrosymmetric Quaternary Sulfides With Potential Nonlinear Optical Applications, Andrew J. Craig

Electronic Theses and Dissertations

In this work, several new quaternary sulfides were synthesized and investigated for their potential applications in optics. Chapter 1 provides an overview of nonlinear optical (NLO) materials in general, including their applications, ideal characteristics, current deficiencies, and strategies for the discovery of new candidate NLO materials, particularly those for use in the infrared (IR). Two families of compounds are investigated in this work, including Ln3LiTS7 (3-1-1-7) compounds and I4-II-IV2-VI7 (4-1-2-7) diamond-like semiconductors (DLSs). All products were synthesized via traditional high-temperature, solid-state synthesis and their structures were solved and refined through single crystal …


Investigating The Influence Of Synthetic Environments On The Electronic Structure And Luminescence Of Cr-Doped Zinc Gallate, Xincheng Li Jul 2022

Investigating The Influence Of Synthetic Environments On The Electronic Structure And Luminescence Of Cr-Doped Zinc Gallate, Xincheng Li

Electronic Thesis and Dissertation Repository

Cr doped ZnGa2O4 (Cr-ZGO) has shown potential in the field of bioimaging. To achieve the nano-size suiting for bioimaging, Cr-ZGO is normally synthesized using a hydrothermal method. There are few studies on how the hydrothermal conditions influence the structure and optical properties of the Cr-ZGO. The first two parts of this thesis study how different hydrothermal temperatures and pH environments will affect the optical properties of Cr-ZGO by photoluminescence spectroscopy. By combining the electronic structure information extracted from X-ray absorption near-edge structures (XANES) and extended X-ray absorption fine structure (EXAFS), a relationship among hydrothermal conditions, optical properties …


Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darrone Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye Jun 2022

Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darrone Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye

Faculty Publications

A new niobium-doped inorganic scintillating oxyfluoride, Rb4Ge5O9F6:Nb, was synthe-sized in single crystal form by high-temperature flux growth. The host structure, Rb4Ge5O9F6, crystal-lizes in the orthorhombic space groupPbcnwith lattice parametersa= 6.98430(10)Å,b= 11.7265(2) Å,andc= 19.2732(3) Å, consisting of germanium oxyfluoride layers made up of Ge3O9units connectedby GeO3F3octahedra. In its pure form, Rb4Ge5O9F6shows neither luminescence nor scintillation butwhen doped with niobium, Rb4Ge5O9F6:Nb exhibits bright blue luminescence and scintillation. Theisostructural doped structure, Rb4Ge5O9F6:Nb, crystallizes in the orthorhombic space groupPbcnwith lattice parametersa= 6.9960(3) Å,b= 11.7464(6) Å, andc= 19.3341(9) Å. X-ray absorption nearedge structure (XANES) and extended X-ray absorption fine structure (EXAFS) measurements suggestthat the niobium …


Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye Jun 2022

Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye

Faculty Publications

A new niobium-doped inorganic scintillating oxyfluoride, Rb4Ge5O9F6:Nb, was synthesized in single crystal form by high-temperature flux growth. The host structure, Rb4Ge5O9F6, crystallizes in the orthorhombic space group Pbcn with lattice parameters a = 6.98430(10) Å, b = 11.7265(2) Å, and c = 19.2732(3) Å, consisting of germanium oxyfluoride layers made up of Ge3O9 units connected by GeO3F3 octahedra. In its pure form, Rb4Ge5O9F6 shows neither luminescence nor scintillation but when doped …


Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye Jun 2022

Luminescence And Scintillation In The Niobium Doped Oxyfluoride Rb4Ge5O9F6:Nb, Darren Carone, Vladislav V. Klepov, Scott T. Misture, Joseph C. Schaeperkoetter, Luiz G. Jacobsohn, Mina Aziziha, Juliano Schorne-Pinto, Stuart A. J. Thomson, Adrian T. Hines, Theodore M. Besmann, Hans Conrad Zur Loye

Faculty Publications

A new niobium-doped inorganic scintillating oxyfluoride, Rb4Ge5O9F6:Nb, was synthesized in single crystal form by high-temperature flux growth. The host structure, Rb4Ge5O9F6, crystallizes in the orthorhombic space group Pbcn with lattice parameters a = 6.98430(10) Å, b = 11.7265(2) Å, and c = 19.2732(3) Å, consisting of germanium oxyfluoride layers made up of Ge3O9 units connected by GeO3F3 octahedra. In its pure form, Rb4Ge5O9F6 shows neither luminescence nor scintillation but when doped …


Collision-Induced Dissociation And Ion Mobility Mass Spectrometry Of Au30(S-Tbu)18 Nanoclusters, Christopher Hood Apr 2022

Collision-Induced Dissociation And Ion Mobility Mass Spectrometry Of Au30(S-Tbu)18 Nanoclusters, Christopher Hood

Honors Theses

Collision Induced Dissociation (CID) and Ion Mobility Mass Spectrometry (IM-MS) are methods used to understand the structural arrangement and stability of large molecules. In this study, the gold nanocluster Au30(S-tBu)18 was dissociated at varying Trap collision energies, and drift time vs mass spectrometry data was plotted to determine the order of cluster fragmentation. Comparing Au30(S-tBu)18 data to that of Au25(SCH2CH2Ph)18, the only current nanocluster published with IM-MS data, two distinctly different dissociation patterns were seen. Unlike the linear CID fragmentation of Au …