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 junctions"”.
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Quantum transport through conjugated organic molecular junctions
… the electronic transport properties of junctions consisting of a scattering region such as a nanoscale object or molecule connected to electrodes is the central basis for future nano and molecular scale applications. In this thesis, I shall discuss the theoretical methods needed to …
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Theory of quantum interference in molecular junctions
… next generation of electronic devices. To create molecular junctions and probe their electrical properties, intense experimental efforts and theoretical studies are underway. For single molecule electronic applications, an important property is their electrical conductance. In this context, I …
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Inelastic transport In molecular junctions from first principles
… Our approach is first applied to benzene molecular junctions connected to cumulene and carbon nanotube electrodes. In these examples, we discuss the role of the multichannel effect and of parity selection rules on the polarity of conductance steps, and the appearance of a non-monotonic …
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Electrical characterization of large-area donor-acceptor molecular junctions
… donor – bridge – acceptor large-area monolayer molecular junctions show current rectification. Langmuir-Blodgett deposition onto thermally evaporated gold yielded four out of the five monolayers. The fifth system was as a monolayer formed by self-assembly onto template-stripped gold. Of the four …
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Electrical and mechanical properties of molecular junctions and nano surfaces
… of the interface. Another feature is that the junctions exhibit three distinct values of stiffness depending on the hydrogen concentration. The highest value is calculated for the directly attached graphene sheet to the silicon-carbide, while the softest junction is obtained when the …
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Force and Conductance Spectroscopy of Single Molecule Junctions
… of mechanical properties of single molecule junctions is crucial to develop an understanding and enable control of single molecular junctions. This work presents an experimental and analytical approach that enables the statistical evaluation of force and simultaneous conductance data of …
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FUNCTIONAL REDOX-ACTIVE MOLECULAR TUNNEL JUNCTIONS
Molecular electronics, which use single molecules or self-assembled monolayers as active electrical elements, are complementary to semiconductor-based electronics with the ultimate goal of reducing the footprint or energy consumption of the electronic devices or uncovering new functionalities for …
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Single molecule studies of molecular electronics and biohybrid materials
… reactions, and polymer chain dynamics at the molecular level. In this thesis, I directly address these challenges using single molecule techniques. Recent advances in single molecule techniques have ushered in a fundamentally new understanding of charge transport at the molecular level, which …
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Biasing Plasmonic Nanocavities
Molecular electronics promises a new generation of ultralow-energy information technologies, based around functional molecular junctions where two electrodes are bridged by just a few molecules. How molecules exactly behave in a real junction however is still not well understood, since interactions …
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Correlated electron transport across atomic and molecular tunnel junctions
… electronics on an atomic scale increases. A molecular junction consists of a molecule connected to to metal electrodes via linker molecules and may be thought of as the prototype system for electronics on a few nanometre length scale. For charge transport calculations such systems are usually …
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Energy and heat transport in molecules
… and boundary conductance of the various molecular junctions using the Fermi's golden rule type of theoretical, computational arrangements. The studied systems have a wide range of advanced technological application. The quantification of the energy rectification and origin of the energy …
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Quantum theory of electronic and thermal transport through nano-scale and single-molecule devices
… thermal and thermoelectric properties of molecular junctions containing single organic molecules. The exploration and understanding the electronic and phononic characteristics of molecules connected to metallic leads is a vital part of nanoscience if molecular electronics is to have a …
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Linear Conjugated Molecular Wires: Organic Materials and Single-Molecule Electronics
… relationship between the intrinsic molecular properties of the bridging organic wire and the performance of their single-molecule junctions. The electrical as well as mechanical characteristics of single-molecular junctions were measured using the scanning tunneling-based break …
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Probing Electronic and Thermoelectric Properties of Single Molecule Junctions
… the transport properties of single molecule junctions. To carry out these transport measurements, we use the scanning tunneling microscope-break junction (STM-BJ) technique, which involves the repeated formation and breakage of a metal point contact in an environment of the target molecule. …
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AI-Driven Discovery and Multiscale Computational Frameworks for Carbon-Based Materials
… to nanocarbon systems, employing reactive molecular dynamics and machine-learning prediction to investigate the temperature- and pressure-dependent graphitization of nanodiamond surfaces, revealing atomistic pathways for sp3-to-sp2 transformation. Chapter 5 explores the co-pyrolysis of …
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Molecular Optoelectronics in Plasmonic Nanocavities
… exploration of light-matter interactions at the molecular level. This thesis investigates the integration of molecules with plasmonic nanostructures to develop novel optoelectronic devices and gain deeper insights into nanoscale phenomena. The research focuses on two primary nanostructures: the …
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Functional nanoelectronic devices: single-electron transport, memristivity, and thermoelectricity in nanoscale flms using self-assembly and graphene
… a high yield. The electrical properties of the junctions are studied individually and collectively using statistical tools to extract correlations between device geometries and electrical data. The dissertation includes discussion of the theory of relevant electronic transport including …
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Theory of electron and phonon transport in nano and molecular quantum devices : design strategies for molecular electronics and thermoelectricity
… 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 treat electron …
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Theory of Charge and Heat Transport Mechanisms in Nanodevices
… effects on the charge transport behaviour of molecular junctions. Such effects, induced by molecular vibrations, solvent or other environmental effects, play a crucial role in many physical setups, but are difficult to simulate explicitly. We apply the Landauer-B\"uttiker probe technique, a …
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