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  • Theoretical study of beryllium borohydride Be(BH₄)₂

    Creator:
    Alghamdi, Maha D.
    Abstract:
    Ab initio calculations using the B3LYP and CCSD(T) methods were employed in this work to explore the most stable structure of the intriguing compound Be(BH₄)₂, for which as many as seven different structures have been proposed in the literature. Use of the B3LYP density functional method with several large basis...
    Resource Type:
    Masters Thesis
    Full Text:
    cause of this could be line broadening caused by a short lifetime of any state due to rapid

  • Synthesis and investigation of layered oxides with honeycomb ordering

    Creator:
    Schmidt, Whitney L.
    Abstract:
    Synthesis and discovery lies at the core of every field in chemistry. The investigation of the structure-property relationships in compounds known or new is the fundamental purpose of solid state chemistry. Mixing related solid state compounds to form solid solutions can lead to exciting new and/or unexpected properties. Layered compounds...
    Resource Type:
    Dissertation
    Full Text:
    focuses on the 15 - 25° 2θ region to highlight the peak broadening due to stacking faults which avoid a

  • Structure-property relationships of oxides with hexagonal AMO₃ and brownmillerite related structures

    Creator:
    Jiang, Peng
    Abstract:
    Transition metal oxides exhibit potential in various application fields due to the special d-electrons. Solid state chemistry focuses on discovering the structure-property relationships. The work in this thesis mainly discusses compounds with hexagonal or brownmillerite-type structure and their practical properties. Hexagonal YIn[subscript 1-x]Fe[subscript x]O₃ (x = 0-0.3, 0.7-1.0) phases have...
    Resource Type:
    Dissertation

  • Investigation of the structural influence on the properties of functional inorganic oxides

    Creator:
    Laurita-Plankis, Geneva
    Abstract:
    While properties are extremely important from an application point of view, it is crucial to have a detailed understanding of the underlying structural influence. Once a concrete correlation between the structure and the observed property is established, rational design of novel materials with optimized properties can be realized. These optimized...
    Resource Type:
    Dissertation

  • High resolution spectroscopy of sulfur trioxide and carbon suboxide

    Creator:
    Masiello, Tony
    Abstract:
    High resolution spectroscopy was used to study the properties of two simple polyatomic molecules, sulfur trioxide, SO₃, and carbon suboxide, C₃O₂. The fundamental modes and several hot bands of the ¹⁸O isotopic fonns of SO₃ (³²S¹⁸O₃ and ³⁴S¹⁸O₃) have been investigated using both infrared spectroscopy and coherent anti-Stokes Raman scattering...
    Resource Type:
    Dissertation
    Full Text:
    about equal to the Doppler width (0.0015 cm') for each line. Additional broadening comes from the laser

  • Cation Substitution Effects in Complex Transition Metal Oxides

    Creator:
    Duell, Brett A.
    Abstract:
    Understanding structural evolution in solids as composition changes is essential to materials properties prediction. Such structure-properties relationships are the theme of solid state chemistry. Materials scientists and chemists have utilized an abundance of simple crystal structures to enhance understanding of chemical and structural origins of properties in materials for decades....
    Resource Type:
    Dissertation