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 31 for “"Molecular Electronic"”.
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Molecular Electronic Structure via Photoelectron Imaging Spectroscopy
… photoelectron imaging spectrometry to probe the molecular electronic structure of various chemical systems, with an emphasis on photoelectron angular distributions. Experimental ion generation, mass selection, laser photodetachment, and photoelectron ion imaging were all done in a photoelectron …
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Optical Control and Spectroscopic Studies of Collisional Population Transfer in Molecular Electronic States
… induced transparency (EIT) applied to molecular systems are the focus of this Dissertation in the context of high resolution molecular spectroscopy. We demonstrate that the AT effect can be used to manipulate the spin character of a spin-orbit coupled pair of molecular energy levels …
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Absolute molecular electronic spectroscopy at UV and soft X-Ray energies by hihg-energy electron impact
… oscillator strengths (cross sections) for electronic excitation of CC14, CH3OH, NH3, CH3NH2, (CH3)2NH, and (CH3)3N at energy resolutions in the range 0.048-1.0 eV fwhm. These data have been obtained in the valence, and inner shells (Cl 2p,2s; C is (CC14), and C is (CH3OH)), spanning the …
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Synthesis of Single Wall Carbon Nanotube Arrays and Their Application in Single Molecular electronics
Molecular electronics utilize molecular as building blocks to fabricate electronic components. Due to the advantage of its size, molecular electronics has been an attractive candidate for future electronics for a long time. However, there are major challenges to be solved before single molecular …
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Influence Of Applied Potential And Metal Ion Concentraion On Metal Electrodeposition At Micron Gap Gold Electrodes
… for fabricating nano-scale (metal/metal) or molecular (metal/polymer or self-assembled monolayer (SAM)/metal) junctions that should be useful in preparing working sensors and molecular electronic devices. The fabrication of metal/metal junctions involves metal deposition on one set of …
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Stochastic optimization application in molecular electronics
Molecular electronics is an exciting emerging technology in today's science involving interesting and challenging projects in a variety of interdisciplinary fields. There are dozens of proposed molecular electronic designs each with their advantages and disadvantages. The nanocell is our lowest …
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Synthesis and applications of electron deficient conjugated polymers
… of conjugated polymers for sensory and electronic applications, with a special emphasis placed on electron-deficient materials. Chapter 2. In this chapter is presented the synthesis, characterization, and applications of a series of electron-deficient poly(p-phenylene vinylene)s (PPVs) …
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Off-Metal Synthesis of Some Aryl Substituted Rhenium n5-Cyclopenta [C] Pyridazyl Complexes
… potential role of pyridazines in next generation electronic devices that utilize organics as the semiconducting material. Pyridazines, 6-membered aromatic rings with two adjacent nitrogens, are promising candidates for a variety of materials and commercial applications. These molecular electronic …
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Probing the Properties of the Molecular Adlayers on Metal Substrates: Scanning Tunneling Microscopy Study of Amine Adsorption on Au(111) and Graphene Nanoislands on Co(0001)
… chosen for its potential application as a molecular electronic device. The molecules were deposited in the gas phase onto the substrate in the vacuum chamber. Five different patterns of BDA molecules on the surface at different coverages, and the preferred adsorption sites of BDA molecules …
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Nanoporous hosts for the encapsulation of conductive nanostructured materials
… potential as components for the construction of molecular electronic devices. It was aimed to gain knowledge of the physico-chemical characteristics of the mesoporous solids and to access differences in their bulk and surface properties that can be essential for further functionalization and …
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Porphyrin-DNA as scaffold for nanoarchitecture and nanotechnology
… industrial applications, e.g. in making optical electronic devices, in artificial photosynthesis or in sensors. In contrast, DNA has only recently been found to be a good scaffold for the construction of functional molecules. Combining the chemical properties of porphyrins and DNA could open the …
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Partition density functional theory
… theory (PDFT) is a method for dividing a molecular electronic structure calculation into fragment calculations. The molecular density and energy corresponding to Kohn Sham density-functional theory (KS-DFT) may be exactly recovered from these fragments. Each fragment acts as an isolated …
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New Chemistry of Mercaptoazulenes and Low-Valent Complexes of Isocyanoarenes
… including pharmaceutical, surface science, and molecular electronics, and light emitting diodes. Recently the Barybin group has begun to explore the coordination chemistry of mercaptoazulenes. Prior to the work done by Barybin et al. there were no examples of coordination complexes of featuring …
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Triplet Exciton Management via Solid-State Interactions in Organic Semiconductors
… play an important role in the function of molecular materials for light emission and light harvesting. This thesis investigates the effects of solid-state interactions on triplet excitons in a new family of organometallic light emitters, carbene-metal-amides (CMAs). Triplet excitons are …
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Chemical Control of the Spin-Phonon Interaction to Develop a New Generation of Molecular Quantum Bits
Molecular magnetism is a fascinating field critical to the development and understanding of new technologies such as molecular quantum bits and quantum memories. Implementing these materials is fundamentally limited by the rapid decay of populations of electronic spins back to magnetic equilibrium. …
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Theory of electron and phonon transport in nano and molecular quantum devices : design strategies for molecular electronics and thermoelectricity
Understanding the electronic and phononic transport properties of junctions consisting of a scattering region such as a nanoscale region or molecule connected two or more electrodes is the central basis for future nano and molecular scale applications. The theoretical and mathematical techniques to …
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Microwave enhancement of energetic materials combustion through gas-phase flame interactions
… enhancement primarily occurs from excitation of molecular electronic transitions and continuum emission. Gray body continuum temperature fits showed an increase in flame temperatures of ~100-300 K. These studies illustrate the many different mechanisms through which microwave energy can interact …
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Interfacial Electronic Structure of Dipolar Vanadyl Naphthalocyanine Thin Films
… in order to assess the evolution of the electronic structure and molecular organization at the interface. The adsorbate molecule vanadyl naphthalocyanine (VONc) was used whose properties are well-suited to this purpose. Interfacial electronic states of thin films of VONc were studied with …
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Applying scanning probe microscopy for the investigation of molecular self-assembly mechanisms and properties of designed nanomaterials
… surface characterizations of nanomaterials and molecular self-assembly processes is emerging as an important contribution in nanotechnology, especially towards the design of molecular electronic devices. Another area of importance is the characterization of the properties of nanomaterials for …
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Quantum Monte Carlo Developments For Discrete And Continuous Spaces
… Monte Carlo, and specifically its application to molecular systems; whereas Chapter 5 focuses on quantum Monte Carlo in a discrete space. Chapter 2 focuses on improving upon the single-particle basis functions employed in quantum Monte Carlo calculations for molecular systems. For calculations …
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