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1	Epioptics of stepped silicon surfaces Ehlert, Robert 16 June 2011 (has links) Spectroscopic second-harmonic generation (SHG) and reflectance-anisotropy spectroscopy (RAS) are used to probe molecular adsorption on clean reconstructed single-domain stepped Si(001) in ultra-high vacuum (UHV). We implement a simplified bond hyperpolarizability model (SBHM) as a common microscopic analysis for SHG and RAS. Three different scenarios are studied: (i) The dissociative adsorption of molecular hydrogen on dangling bonds of D[subscript B] step-edges. (ii) Structural changes to rebonded r-D[subscript B] steps induced by exposure to atomic hydrogen. (iii) The adsorption of cyclopentene on Si(001)(2x1) terrace dimers in a [2+2] cycloaddition pathway. Using the SBHM we develop a new optical fingerprinting method to isolate, identify and monitor individual types of bonds (e.g. dimers, rebonds, dangling bonds, backbonds) and their chemical activity on a single-domain stepped Si(001) surface using nonresonant, but rotationally-anisotropic, second-harmonic generation (RA-SHG). The methods presented here will be applicable to many material systems and allow to track, in-situ and in real-time, the chemical action of adsorbates on surfaces. / text Second-harmonic generation Reflectance-anisotropy spectroscopy Silicon Si(001) Vicinal Molecular adsorption SBHM Cyclopentene Molecular electronics Nanoelectronics Microelectronics
2	DFT simulace interakce organických molekul s orientovanými povrchy / DFT simulations of interaction of organic molecules with oriented surfaces Krejčí, Ondřej January 2017 (has links) This thesis concerns my theoretical calculations and simulations in comparison with experimental measurements acquired by means of surface science techniques on bare surfaces and molecules adsorbed on surfaces. In the beginning of the thesis I briefly describe the density functional theory (DFT) method, which is used for calculations of geometric and electronic structure of surfaces and absorbed molecules. It is followed by a quick overview of the scanning probe microscopy (SPM) and X-ray spectroscopy techniques that provided experimental context for my calculations. In the later part of my thesis I introduce publications on which I participated. In these works, direct results of my DFT calculations or simulations based on DFT outputs helped to reveal geometric and electronic structure of acetophenone adsorbed on Si(111) surface, on-surface oligomerized organic molecules and boron atoms used for substitational doping of graphene. The simulations also enable us to probe a laser initiated CO hydrogenation in real time. A big part of my work was the development of some simulation methods for SPM imaging of molecules on surfaces with flexible tip apexes. These simulation methods helped to create a comprehensive overview of SPM techniques performed with flexible tip apexes. 1
3	Advanced Multifunctional Bulk Optical & Fiber Bragg Grating Sensing Techniques Shivananju, B N 07 1900 (has links) (PDF) In this thesis work, a systematic quantitative study has been undertaken, on the performance of etched fiber Bragg Grating (FBG) sensors in the investigation of surface molecular adsorption in real-time; it is shown that the limit of detection (LOD) of FBGs etched below 2 microns diameter, is better compared to prominent optical label-free molecular sensing techniques such as Surface Plasmon Resonance (SPR). Novel fiber optic sensors based on FBG and etched FBG with various nano materials (polyelectrolytes, carbon nanotubes, hydrogel, metals and chalcogenides) coated on the surface of the core or cladding, have been proposed for sensing multi parameters such as pH, protein, humidity, gas, strain, temperature, and light etc. Besides being reproducible and repeatable, the proposed methods are fast, compact, and highly sensitive. A novel optical instrument has also been developed to measure angular deviation, binocular deviation and refractive index of glass slabs, and liquids, based on a shadow casting technique. This method uses the deviation in the geometrical shadow cast by a periodic dot pattern trans-illuminated by a distorted light beam from the transparent test specimen relative to a reference pattern. Optical Shadow Casting Fiber Bragg Grating Fiber Bragg Grating Sensors Etched Fiber Bragg Grating Metal Coated Fiber Bragg Grating Hydrogel Coated Fiber Bragg Grating Chalcogenide Coated Fiber Bragg Grating Surface Molecular Adsorption Fiber Optic Sensors Fiber Bragg Gratings - Photonics Instrumentation
4	Phthalocyanines on Surfaces : Monolayers, Films and Alkali Modified Structures Nilson, Katharina January 2007 (has links) The Phthalocyanines (Pc’s) are a group of macro-cyclic molecules, widely investigated due to the possibility to use them in a variety of applications. Electronic and geometrical structure investigations of molecular model systems of Pc’s adsorbed on surfaces are important for a deeper understanding of the functionality of different Pc-based devices. Here, Pc’s monolayers and films, deposited on different surfaces, were investigated by X-ray Photoelectron Spectroscopy (XPS), X-ray Absorption Spectroscopy (XAS) and Scanning Tunneling Microscopy (STM). In addition Density Functional Theory (DFT) simulations were performed. For molecular films of Metal-free (H2Pc) and Iron (FePc) Pc’s, on surfaces, it is found that the intermolecular interaction is weak and the molecules arrange with their molecular plane mainly perpendicular to the surface. Several monolayer systems were characterized, namely H2Pc and FePc adsorbed on Graphite, ZnPc on InSb(001)-c(8x2), H2Pc on Al(110) and on Au(111). For all the studied monolayers it was found that the molecules are oriented with their molecular plane parallel to the surface. The electronic structure of the molecules is differently influenced by interaction with the surfaces. For H2Pc adsorbed on Graphite the nearly negligible effect of the surface on the molecular electronic structure allowed STM characterization of different molecular orbitals. A strong interaction is instead found in the case of H2Pc on Al(110) resulting in molecules strongly adsorbed, and partly dissociated. Modifications of the electronic and geometrical structure induced by alkali doping of H2Pc films and monolayers were characterized. It is found both for the H2Pc film on Al(110) and monolayer adsorbed on Au(111), that the molecular arrangement is changed upon doping by Potassium and Rubidium, respectively. Potassium doping of the H2Pc films results in a filling of previously empty molecular orbitals by a charge transfer from the alkali to the molecule, with significant modification of the molecular electronic structure. Atomic and molecular physics Phthalocyanines Surface Science X-ray Photoelectron Spectroscopy (XPS) X-ray Absorption Spectroscopy (XAS) Scanning Tunneling Microscopy (STM) Density Functional Theory (DFT) Metal-free Phthalocyanine Iron Phthalocyanine Zinc Phthalocyanine Gold Graphite Aluminium Indium Antimony Molecular adsorption Monolayer Film Alkali Geometrical structure Electronic structure Doping Atom- och molekylfysik Physics Fysik
5	Atomically controlled device fabrication using STM Ruess, Frank Joachim, Physics, Faculty of Science, UNSW January 2006 (has links) We present the development of a novel, UHV-compatible device fabrication strategy for the realisation of nano- and atomic-scale devices in silicon by harnessing the atomic-resolution capability of a scanning tunnelling microscope (STM). We develop etched registration markers in the silicon substrate in combination with a custom-designed STM/ molecular beam epitaxy system (MBE) to solve one of the key problems in STM device fabrication ??? connecting devices, fabricated in UHV, to the outside world. Using hydrogen-based STM lithography in combination with phosphine, as a dopant source, and silicon MBE, we then go on to fabricate several planar Si:P devices on one chip, including control devices that demonstrate the efficiency of each stage of the fabrication process. We demonstrate that we can perform four terminal magnetoconductance measurements at cryogenic temperatures after ex-situ alignment of metal contacts to the buried device. Using this process, we demonstrate the lateral confinement of P dopants in a delta-doped plane to a line of width 90nm; and observe the cross-over from 2D to 1D magnetotransport. These measurements enable us to extract the wire width which is in excellent agreement with STM images of the patterned wire. We then create STM-patterned Si:P wires with widths from 90nm to 8nm that show ohmic conduction and low resistivities of 1 to 20 micro Ohm-cm respectively ??? some of the highest conductivity wires reported in silicon. We study the dominant scattering mechanisms in the wires and find that temperature-dependent magnetoconductance can be described by a combination of both 1D weak localisation and 1D electron-electron interaction theories with a potential crossover to strong localisation at lower temperatures. We present results from STM-patterned tunnel junctions with gap sizes of 50nm and 17nm exhibiting clean, non-linear characteristics. We also present preliminary conductance results from a 70nm long and 90nm wide dot between source-drain leads which show evidence of Coulomb blockade behaviour. The thesis demonstrates the viability of using STM lithography to make devices in silicon down to atomic-scale dimensions. In particular, we show the enormous potential of this technology to directly correlate images of the doped regions with ex-situ electrical device characteristics. scanning tunneling microscopy silicon quantum devices nanoelectronics doping registration markers STM device fabrication quantum computer single atom electronics tunnel junctions nanowires quantum dots metal dots weak localisation strong localisation phosphine dephasing electron transport magnetotransport planar device architecture low temeperature measurements Coulomb blockade STM electron electron interactions dimensioncal crossover ultra high vacuum hydrogen resist lithography STM lithography molecular adsorption electrical dopant activation disordered electron systems electron phase coherence length photon assisted carrier generation tunnelling delta doping molecular beam epitaxy
6	Atomically controlled device fabrication using STM Ruess, Frank Joachim, Physics, Faculty of Science, UNSW January 2006 (has links) We present the development of a novel, UHV-compatible device fabrication strategy for the realisation of nano- and atomic-scale devices in silicon by harnessing the atomic-resolution capability of a scanning tunnelling microscope (STM). We develop etched registration markers in the silicon substrate in combination with a custom-designed STM/ molecular beam epitaxy system (MBE) to solve one of the key problems in STM device fabrication ??? connecting devices, fabricated in UHV, to the outside world. Using hydrogen-based STM lithography in combination with phosphine, as a dopant source, and silicon MBE, we then go on to fabricate several planar Si:P devices on one chip, including control devices that demonstrate the efficiency of each stage of the fabrication process. We demonstrate that we can perform four terminal magnetoconductance measurements at cryogenic temperatures after ex-situ alignment of metal contacts to the buried device. Using this process, we demonstrate the lateral confinement of P dopants in a delta-doped plane to a line of width 90nm; and observe the cross-over from 2D to 1D magnetotransport. These measurements enable us to extract the wire width which is in excellent agreement with STM images of the patterned wire. We then create STM-patterned Si:P wires with widths from 90nm to 8nm that show ohmic conduction and low resistivities of 1 to 20 micro Ohm-cm respectively ??? some of the highest conductivity wires reported in silicon. We study the dominant scattering mechanisms in the wires and find that temperature-dependent magnetoconductance can be described by a combination of both 1D weak localisation and 1D electron-electron interaction theories with a potential crossover to strong localisation at lower temperatures. We present results from STM-patterned tunnel junctions with gap sizes of 50nm and 17nm exhibiting clean, non-linear characteristics. We also present preliminary conductance results from a 70nm long and 90nm wide dot between source-drain leads which show evidence of Coulomb blockade behaviour. The thesis demonstrates the viability of using STM lithography to make devices in silicon down to atomic-scale dimensions. In particular, we show the enormous potential of this technology to directly correlate images of the doped regions with ex-situ electrical device characteristics. scanning tunneling microscopy silicon quantum devices nanoelectronics doping registration markers STM device fabrication quantum computer single atom electronics tunnel junctions nanowires quantum dots metal dots weak localisation strong localisation phosphine dephasing electron transport magnetotransport planar device architecture low temeperature measurements Coulomb blockade STM electron electron interactions dimensioncal crossover ultra high vacuum hydrogen resist lithography STM lithography molecular adsorption electrical dopant activation disordered electron systems electron phase coherence length photon assisted carrier generation tunnelling delta doping molecular beam epitaxy

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