Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 119 for “"Electronic Structures"”.
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Microvascular materials for adaptive electronic structures
… switching using EGaIn displacement for adaptive electronic applications.
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Planar Orbital Method for Surface Electronic Structures
The method is applied to the self-consistent electronic structural calculations of the Si(001) 2 x 1 surface with symmetric and buckled dimers, As/Si(001) 2 x 1 and Sb/Si(001) 2 x 1 surfaces with symmetric dimers, and the hydrogen-passivated Si(001) 2 x 1 surface, as well as the …
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Carbon nanotube electronic structures as anti-corrosion coatings
… in this study. Diode-like and transistor-like structures have been fabricated and analyzed in the study of ionic flow through the resulting potential barriers. The structures were made of functionalized carbon nanotubes. Carbon nanotubes are known for many remarkable properties among which is …
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Electronic Structures of Cadmium Sulfide and Zinc Oxide
… are performed on zinc oxide to determine its electronic structure, and the computed bands agree with optical measurements of the valence bands.
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Study of electronic structures of carbon and silicon clusters
… The research work is experimental - the electronic structure of small clusters has been investigated employing photoelectron spectroscopy. <br>The results reached on carbon and silicon clusters can be summarised as follows: <br>- For the first time, we suggest the existence of the …
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Probing nano-scale atomic and electronic structures of iron-based superconductors
… families of chalcogenides and pnictides. Crystal structures and bonding have large effects on superconductivity in these materials. Investigating atomic and electronic structures is thus essential to help understand their interesting properties. In this thesis, I have investigated the bulk and …
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Experimental and theoretical investigation of the electronic structures of ferrocene-peptide conjugates
… experimental and theoretical examination of the electronic structures of a number of modified helical peptides, specifically ferrocene-(proline)x-benzyl ester (referred to as Fc-Proₓ-OBz), is presented. Soft X-ray absorption (XAS) and emission (XES) spectroscopy using synchrotron radiation are …
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Electronic structures of iron and manganese oxides with applications to their mineralogy
Thesis (Ph.D.)--Massachusetts Institute of Technology, Dept. of Earth, Atmospheric and Planetary Sciences, 1984.
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Modeling Evolution of Electronic Structures of Nuclear Waste Form within Density Functional Theory
… theoretical calculations of the evolution of structures and electronic properties during its storage. In the present work, we have performed electronic structure calculations for both Th{x}U{1-x}O{2} and Cs{1-x}Ba{x}Cl compounds within Density Functional Theory approach, which are of long …
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The magnetic and electronic structures of several rare earth-transition metal intermetallic compounds
… suggest that the difference between the magnetic structures of LaNi<sub>5-x</sub>Mn<sub>5</sub> is due to the Mn dilution.</p> <p>The electronic structures of the LaNi<sub>5-x</sub>Fe<sub>x</sub> compounds with x = 1 and 2 have been modeled by the orthogonalized linear combination of atomic …
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Interfacial physics in meniscus-confined electrodeposition and its applications for fabricating electronic structures
… to direct-write pure metallic three-dimensional structures of designed shapes and sizes in an ambient air environment. This technique is cost-effective to implement and is based on the principle of electrodeposition, and can thus be applied to fabricate structures made of a wide variety of …
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Microstructure and Electronic Structures of Er-Doped Si Nano-particles Synthesized by Vapor Phase Pyrolysis
Si nanoparticles are new prospective optoelectronic materials. Unlike bulk Si cry-stals, Si nanoparticles display intriguing room-temperature photoluminescence. A major challenge in the fabrication of Si nanoparticles is the control of their size distribution. The rare-earth element Er has unique …
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Synthesis, structures, electronic structures and physical properties of quaternary alkali, alkaline earth, rare earth and transition metal pnictides
… the relationship among compositions, structures and physical properties are still a challenge in solid-state chemistry. Based on the Zintl concepts, studing the crystal structures and electronic structures of Zintl phases, it provides a way to further understand and predict the …
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Rigorous Studies of the Electronic Structures of Molecules and Molecular Complexes. Electron Correlation Effects in the Hydrogen Bonding of Small Dimeric Systems (Hydrogen Fluoride, Carbon Monoxide, Nitrogen, Hydrogen Cyanide)
… cyanide are presented. While linear equilibrium structures are found for these complexes, an attempt is made to elucidate their vibrationally averaged structures. It is found that the binding energies range from about two to seven kcals and the nature of this hydrogen bonding interaction is …
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Functional heterointerfaces via electromodulation spectroscopy
Functional heterojunctions in organic electronic devices are interfaces formed either between a conducting electrode and an organic semiconductor or between two different organic semiconductors in blended and multilayered structures. This thesis is primarily concerned with the energy level …
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Organometallic Chemistry in Fe–S Clusters
… full characterization of the geometric and electronic structures of enzymatic [Fe₄S₄]–alkyl species has not been possible. To address these challenges, we have synthesized a series of organometallic [Fe₄S₄] clusters to explore the electronic structures and reactivities of Fe–S clusters in …
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Activity and Stability Design Principles of Transition Metal Compounds for Decarbonization
… effect to design catalysts with optimized electronic structures and redox properties by incorporating highly acidic/electronegative metals into perovskite oxides and constructing hybrid organic-inorganic oxide-based catalysts with stronger tunability in electronic structures than pure …
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Ab initio computational applications of electronic structure and spectroscopic Properties of bulk Crystalline materials
… physical and mechanical properties, but puzzling structures. The uncertain stoichiometric value of foreign elements in boron-rich compounds greatly influences the physical and chemical properties. To study this effect, pure elemental boron which has six allotropes (α-r-B12, γ-B28, α-t-B51, …
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A STUDY OF THE ELECTRONIC PROPERTIES OF SOME HETEROCYCLIC COMPOUNDS AND THE THERMAL DECOMPOSITION OF METHYLATED THIOBUTYROLACTONES
… into two parts. The first part investigated the electronic structures of some biheterocyclic compounds and substituted thiophenes. The second discussed the pyrolyses of three methylated thiobutyrolactones. The electronic structures of some biheterocyclic compounds containing various combinations …
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