Search for dissertations about: "IETS"
Showing result 1 - 5 of 8 swedish dissertations containing the word IETS.
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1. Elastic and Inelastic Electron Tunneling in Molecular Devices
Abstract : A theoretical framework for calculating electron transport through molecular junctions is presented. It is based on scattering theory using a Green's function formalism. The model can take both elastic and inelastic scattering into account and treats chemical and physical bonds on equal footing. READ MORE
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2. Theoretical Study on Chemical Structures and Stability of Molecules in Metallic Junctions
Abstract : In this thesis, we focus on the structural identification of the interface using surface enhanced Raman spectroscopy (SERS) and inelastic electron tunnelling scattering (IETS). Two different molecular junctions, namely gold/ trans-1,2-bis (4-pyridyl) ethylene/gold junction and gold/4,4'-bipyridine/gold junctions in various conditions were studied and the corresponding configurations were determined. READ MORE
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3. First principles simulations of electron transport at the molecule-solid interface
Abstract : In this thesis I concentrate on the description of electron transport properties of microscopic objects, including molecular junctions and nano junctions, in particular, inelastic electron tunneling in surface-adsorbate systems are examined with more contemplations. Boosted by the rapid advance in experimental techniques at the microscopic scale, various electric experiments and measurements sprung up in the last decade. READ MORE
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4. A generalized quantum chemical approach for nano- and bio-electronics
Abstract : A generalized quantum chemical approach for electron transport in molecular devices is developed. It allows to treat the devices where the metal electrodes and the molecule are either chemically or physically bonded on equal footing. READ MORE
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5. Theoretical Study of Vibronic Spectra of Molecule Systems Generated by Photo- and Electronic Excitations
Abstract : Spectra represent fingerprints of molecules, which contain unique information about their properties. Through analyzing the spectral data, one can reveal the molecules' energy level alignments, identify their species and geometric structures, and explore relevant chemical processes and microscopic mechanisms. READ MORE