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 22 for “"Electronic and Structural Properties"”.
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Electronic and structural properties of rare gas cation clusters
We study structure and ground and excited state properties of rare gas cation clusters, Rg<sup>+</sup><sub>N</sub>, for N=3-60. The main goal is to understand how the positive charge is delocalized over the cluster and the relationship between cluster geometry and delocalization. …
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Computational modelling of the electronic and structural properties of chalcopyrite-type semiconductors and platinum group metal chalcogenides
… is the design of materials with appropriate band gaps. Electronic structure calculations based on Density Functional Theory (DFT) have been extensively used to study and to describe such properties of many condensed matter systems. In this work, we have utilized DFT to study the electronic …
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Effect of size and surface structure manipulation on the luminescent properties of silicon nanoclusters
… scale between materials with crystalline order and molecules. Quantum confinement of the carrier wavefunction within such structures may significantly alter their electronic behavior. Additionally, the effect of surface reconstruction becomes substantial at this scale. This work investigated …
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Virus-enabled synthesis and 2D/3D assembly of nanowire networks
… nanowires can provide important functionality to electronic devices through a unique combination of electronic and structural properties including high conductivity, high surface area, and tunable porosity. In this thesis, we explore the virus-enabled synthesis and two/three-dimensional assembly …
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Synthesis of fluoromodified carbon rich electron acceptors and exploration of their structural, electronic, and device properties
The electronic and structural characterization of fluoro-modified carbon-rich compounds is critical to the successful implementation of these materials by physicists, biochemists, materials scientists, medicinal chemists, and most significantly for this work, organic electronics chemists. By adding …
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Effect of Alkali on the Efficiency and Reliability of Cu(In,Ga)Se2 Solar Cells
… treated Cu(In,Ga)Se<sub>2</sub> solar cells and their physicochemical, electronic and structural properties are explored through a comparative study between standard devices and alkali (K, Rb) treated devices. The alkali treated devices tend to have a lower concentration of E<sub>v</sub>+0.98 …
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Scanning tunneling microscopy and spectroscopy of topological materials with broken symmetry
… focuses on the probing of physics governing the electronic and structural properties of topological materials. In three-dimensional topological insulators, the native substitutional defects result in a shift of the chemical potential into the conduction and valence bands. The added conduction …
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Three-dimensional electronic resistivity mapping of solid electrolyte interphase and anode active material in lithium-ion batteries
Silicon is a promising candidate for the lithium ion battery anode because of the order-of-magnitude improvement in gravimetric energy density over current state-of-the-art graphite anodes. In systems featuring both C and Si anodes, electronic resistivity of the solid-electrolyte interphase (SEI) …
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Nanoscale studies of CVD graphene and poly(3-hexylthiophene) thin films.
… absorb solar radiation in both the near infrared and ultraviolet regions of the electromagnetic spectrum. The challenge lies in improving the power conversion efficiency from the current 3.5%. It is therefore crucial to have a complete understanding of the electronic and structural properties of …
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X-ray studies of gallium arsenide-silicon heterostructures
… heterostructures combine complementary electronic and structural properties to greater technological potential. The large 4% mismatch in lattice parameter between the two semiconductors strongly affects disorder within the film and at the interface. We employ x-ray scattering to explore …
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Development of new pyrochlore-type electrocatalysts for oxygen evolution reaction in acid
… discovering new catalysts, a fundamental understanding of OER activity and stability origin is also critical. This dissertation focuses on: (1) identifying active and acid-stable OER catalysts in comparison to the state-of-the-art RuO2 and IrO2 catalysts; (2) studying the intrinsic material …
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Amorphous Ni-based Alloys as Alkaline Oxygen Evolution Electrocatalysts
… efficiency of many electrochemical conversion and storage technologies, such as water electrolysis and CO2 conversion, is hindered by sluggish oxygen evolution reaction (OER) kinetics. Amorphous alloys display enhanced OER kinetics and stability over their crystalline counterparts but …
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Photoemission studies of noble metal semiconductor systems
The study of the structural and electronic properties of semiconductor surfaces and of thin metallic films deposited upon them is a topic of fundamental and practical interest. Clean and Au and Ag covered surfaces of Ge(lll)-c(Zx8), Si(lll)-(7x7), Ge(lOO)-(Zxl), and Si(lOO)-(Zxl) are studied in …
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Structural and electronic properties of transition metal nanoalloys and magnetic compounds
… profitable technological applications and fascinating fundamental questions are closely connected. Bimetallic nanoalloys, e.g., have become increasingly popular as their performance in catalysis is often superior to their pure counterparts. Exemplary for this are gold-platinum (Au-Pt) …
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Synthesis of Highly Ordered Polymer Nanostructures Based on Polyphenylene Vinylenes (PPVs)
… that has been well studied in terms of optical, electronic, and structural properties. To build off of this knowledge, a series of well-defined polychromophores with a backbone composed of alternating PPV oligomers (trimer, pentamer, or septamer) with flexible (n-decyl or tetraethylene glycol) or …
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Synthesis, characterization and catalytic testing of metal tungstates as catalysts for activation of lower alkanes
The electronic and structural properties of vanadium-containing phases govern the formation of isolated active sites at the surface of these catalysts for selective alkane oxidation. This concept is not restricted to vanadium oxide. The deliberate use of hydrothermal techniques can turn the typical …
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From Dye Sensitized Solar Cells to Organic Field Effect Transistors: A Computational Investigation into the Structural and Electronic Properties of Novel Phthalocyanines
… application areas due to their highly tunable electronic and structural properties through modification of the molecular periphery and metal center. Throughout this work a series of novel perfluoro-isopropyl substituted MPc have been investigated through theoretical methods. First, the …
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Spectroscopy of Topological Materials and their Technological Applications
… at the forefront of condensed matter physics and material science research in the past decade. The concept of topology has greatly shaped our modern understanding of matter including how band topology can tailor the exotic electronic and structural properties of a material. The prediction and …
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Experimental and Theoretical Study of Resonance Raman Spectroscopy in Ground and Excited Electronic States
… a powerful tool for the identification, study, and selective control of molecular processes. Raman scattering is particularly useful in observing the vibrational properties of molecules, and identifying compounds based on structure. While the experimental measurements provide structural …
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Application and analysis of the constant photocurrent method in studies on amorphous silicon and other thin-film semiconductors
The opto-electronic properties of amorphous hydrogenated silicon films (a-Si:H) produced by plasma enhanced chemical vapour deposition (PECVD) in a commercial reactor and hot-wire chemical vapour deposition (HWCVD) in a laboratory setup, are subject to light-soaking and annealing and investigated …
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