• Refine Query
  • Source
  • Publication year
  • to
  • Language
  • 15
  • 5
  • 2
  • 1
  • 1
  • 1
  • 1
  • 1
  • Tagged with
  • 33
  • 10
  • 8
  • 7
  • 7
  • 7
  • 7
  • 7
  • 6
  • 6
  • 6
  • 6
  • 6
  • 6
  • 6
  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
21

Electronic Coupling Effects and Charge Transfer between Organic Molecules and Metal Surfaces / Elektronische Kopplungseffekte und Ladungstransfer zwischen organischen Molekülen und Metalloberflächen

Forker, Roman 28 January 2010 (has links) (PDF)
We employ a variant of optical absorption spectroscopy, namely in situ differential reflectance spectroscopy (DRS), for an analysis of the structure-properties relations of thin epitaxial organic films. Clear correlations between the spectra and the differently intense coupling to the respective substrates are found. While rather broad and almost structureless spectra are obtained for a quaterrylene (QT) monolayer on Au(111), the spectral shape resembles that of isolated molecules when QT is grown on graphite. We even achieve an efficient electronic decoupling from the subjacent Au(111) by inserting an atomically thin organic spacer layer consisting of hexa-peri-hexabenzocoronene (HBC) with a noticeably dissimilar electronic behavior. These observations are further consolidated by a systematic variation of the metal substrate (Au, Ag, and Al), ranging from inert to rather reactive. For this purpose, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) is chosen to ensure comparability of the molecular film structures on the different metals, and also because its electronic alignment on various metal surfaces has previously been studied with great intensity. We present evidence for ionized PTCDA at several interfaces and propose the charge transfer to be related to the electronic level alignment governed by interface dipole formation on the respective metals. / Zur Analyse der Struktur-Eigenschafts-Beziehungen dünner, epitaktischer Molekülfilme wird in situ differentielle Reflexionsspektroskopie (DRS) als Variante der optischen Absorptionsspektroskopie verwendet. Klare Zusammenhänge zwischen den Spektren und der unterschiedlich starken Kopplung zum jeweiligen Substrat werden gefunden. Während man breite und beinahe unstrukturierte Spektren für eine Quaterrylen (QT) Monolage auf Au(111) erhält, ist die spektrale Form von auf Graphit abgeschiedenem QT ähnlich der isolierter Moleküle. Durch Einfügen einer atomar dünnen organischen Zwischenschicht bestehend aus Hexa-peri-hexabenzocoronen (HBC) mit einem deutlich unterschiedlichen elektronischen Verhalten gelingt sogar eine effiziente elektronische Entkopplung vom darunter liegenden Au(111). Diese Ergebnisse werden durch systematische Variation der Metallsubstrate (Au, Ag und Al), welche von inert bis sehr reaktiv reichen, untermauert. Zu diesem Zweck wird 3,4,9,10-Perylentetracarbonsäuredianhydrid (PTCDA) gewählt, um Vergleichbarkeit der molekularen Filmstrukturen zu gewährleisten, und weil dessen elektronische Anordnung auf verschiedenen Metalloberflächen bereits eingehend untersucht worden ist. Wir weisen ionisiertes PTCDA an einigen dieser Grenzflächen nach und schlagen vor, dass der Ladungsübergang mit der elektronischen Niveauanpassung zusammenhängt, welche mit der Ausbildung von Grenzflächendipolen auf den entsprechenden Metallen einhergeht.
22

Electronic Coupling Effects and Charge Transfer between Organic Molecules and Metal Surfaces

Forker, Roman 12 January 2010 (has links)
We employ a variant of optical absorption spectroscopy, namely in situ differential reflectance spectroscopy (DRS), for an analysis of the structure-properties relations of thin epitaxial organic films. Clear correlations between the spectra and the differently intense coupling to the respective substrates are found. While rather broad and almost structureless spectra are obtained for a quaterrylene (QT) monolayer on Au(111), the spectral shape resembles that of isolated molecules when QT is grown on graphite. We even achieve an efficient electronic decoupling from the subjacent Au(111) by inserting an atomically thin organic spacer layer consisting of hexa-peri-hexabenzocoronene (HBC) with a noticeably dissimilar electronic behavior. These observations are further consolidated by a systematic variation of the metal substrate (Au, Ag, and Al), ranging from inert to rather reactive. For this purpose, 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) is chosen to ensure comparability of the molecular film structures on the different metals, and also because its electronic alignment on various metal surfaces has previously been studied with great intensity. We present evidence for ionized PTCDA at several interfaces and propose the charge transfer to be related to the electronic level alignment governed by interface dipole formation on the respective metals. / Zur Analyse der Struktur-Eigenschafts-Beziehungen dünner, epitaktischer Molekülfilme wird in situ differentielle Reflexionsspektroskopie (DRS) als Variante der optischen Absorptionsspektroskopie verwendet. Klare Zusammenhänge zwischen den Spektren und der unterschiedlich starken Kopplung zum jeweiligen Substrat werden gefunden. Während man breite und beinahe unstrukturierte Spektren für eine Quaterrylen (QT) Monolage auf Au(111) erhält, ist die spektrale Form von auf Graphit abgeschiedenem QT ähnlich der isolierter Moleküle. Durch Einfügen einer atomar dünnen organischen Zwischenschicht bestehend aus Hexa-peri-hexabenzocoronen (HBC) mit einem deutlich unterschiedlichen elektronischen Verhalten gelingt sogar eine effiziente elektronische Entkopplung vom darunter liegenden Au(111). Diese Ergebnisse werden durch systematische Variation der Metallsubstrate (Au, Ag und Al), welche von inert bis sehr reaktiv reichen, untermauert. Zu diesem Zweck wird 3,4,9,10-Perylentetracarbonsäuredianhydrid (PTCDA) gewählt, um Vergleichbarkeit der molekularen Filmstrukturen zu gewährleisten, und weil dessen elektronische Anordnung auf verschiedenen Metalloberflächen bereits eingehend untersucht worden ist. Wir weisen ionisiertes PTCDA an einigen dieser Grenzflächen nach und schlagen vor, dass der Ladungsübergang mit der elektronischen Niveauanpassung zusammenhängt, welche mit der Ausbildung von Grenzflächendipolen auf den entsprechenden Metallen einhergeht.
23

Electro-Quasistatic Human Body Communication: From Bio-Physical Modeling to Broadband Circuits and HCI Applications

Shovan Maity (7046372) 15 August 2019 (has links)
<div>Decades of scaling in semiconductor technology has resulted in a drastic reduction in the cost and size of unit computing. This has enabled computing capabilities in small form factor wearable and implantable devices. These devices communicate with each other to form a network around the body, commonly known as the Wireless Body Area Network (WBAN). Radio wave transmission over air is the commonly used method of communication among these devices. However, the human body can be used as the communication medium by utilizing its electrical conductivity property. This has given rise to Human Body Communication (HBC), which provides higher energy efficiency and enhanced security compared to over the air radio wave communication enabling applications like remote health monitoring, secure authentication. In this thesis we characterize the human body channel characteristics at low frequencies, utilize the insight obtained from the channel characterization to build high energy-efficiency, interference-robust circuits and demonstrate the security and selectivity aspect of HBC through a Common Off the Shelf (COTS) component-based system. First, we characterize the response of the human body channel in the 10KHz1MHz frequency range with wearable transmitter/ receiver to study the feasibility of using it as a broadband communication channel. Voltage mode measurements with capacitive termination show almost at-band response in this frequency range, establishing the body as a broadband channel. The body channel response is also measured across different interaction scenario between two wearable devices and a wearable and a computer. A bio-physical model of the HBC channel is developed to explain the measurement results and the wide discrepancies found in previous studies.We analyze the safety aspect of different type of HBC by carrying out theoretical circuit and FEM based simulations. A study is carried out among multiple subjects to assess the effect of HBC on the vital parameters of a subject. A statistical analysis of the results shows no signicant change in the vital parameters before and during HBC transmission, validating the theoretical simulations showing >!000x safety margin compared to the established ICNIRP guidelines. Next, an HBC transceiver is built utilizing the wire-like, broadband human body channel to enable high energy efficiency. The transceiver also provides robustness to ambient interference picked up by the human body through integration followed by periodic sampling. The transceiver achieves 6.3pJ/bit energy effciency while operating at a maximum data rate of 30Mbps, while providing -30dB interference tolerant operation. Finally, a COTS based HBC prototype is developed, which utilizes low frequency operation to enable selective and physically secure communication strictly during touch for Human Computer Interaction (HCI) between two wearable devices for the rst time. A thorough study of the effect of different parameters such as environment, posture, subject variation, on the channel loss has also been characterized to build a robust HBC system working across different use cases. Applications such as secure authentication (e.g. opening a door, pairing a smart device) and information exchange (e.g. payment, image, medical data, personal profile transfer) through touch is demonstrated to show the impact of HBC in enabling new human-machine interaction modalities.</div>
24

Application-Specific Things Architectures for IoT-Based Smart Healthcare Solutions

Sundaravadivel, Prabha 05 1900 (has links)
Human body is a complex system organized at different levels such as cells, tissues and organs, which contributes to 11 important organ systems. The functional efficiency of this complex system is evaluated as health. Traditional healthcare is unable to accommodate everyone's need due to the ever-increasing population and medical costs. With advancements in technology and medical research, traditional healthcare applications are shaping into smart healthcare solutions. Smart healthcare helps in continuously monitoring our body parameters, which helps in keeping people health-aware. It provides the ability for remote assistance, which helps in utilizing the available resources to maximum potential. The backbone of smart healthcare solutions is Internet of Things (IoT) which increases the computing capacity of the real-world components by using cloud-based solutions. The basic elements of these IoT based smart healthcare solutions are called "things." Things are simple sensors or actuators, which have the capacity to wirelessly connect with each other and to the internet. The research for this dissertation aims in developing architectures for these things, focusing on IoT-based smart healthcare solutions. The core for this dissertation is to contribute to the research in smart healthcare by identifying applications which can be monitored remotely. For this, application-specific thing architectures were proposed based on monitoring a specific body parameter; monitoring physical health for family and friends; and optimizing the power budget of IoT body sensor network using human body communications. The experimental results show promising scope towards improving the quality of life, through needle-less and cost-effective smart healthcare solutions.
25

Electro - Quasistatic Body Communication for Biopotential Applications

Shreeya Sriram (10195706) 25 February 2021 (has links)
<p> </p><div> <div> <div> <p> </p><div> <div> <div> <p> </p><div> <div> <div> <p>The current state of the art in biopotential recordings rely on radiative electromagnetic (EM) fields. In such transmissions, only a small fraction of this energy is received since the EM fields are widely radiated resulting in lossy inefficient systems. Using the body as a communication medium (similar to a ’wire’) allows for the containment of the energy within the body, yielding order(s) of magnitude lower energy than radiative EM communication. The first part of this work introduces Animal Body Communication for untethered rodent biopotential recording and for the first time this work develops the theory and models for animal body communication circuitry and channel loss. In vivo experimental analysis proves that ABC successfully transmits acquired electrocardiogram (EKG) signals through the body with correlation greater than 99% when compared to traditional wireless communication modalities, with a 50x reduction in power consumption. The second part of this work focusses on the analysis and design of an Electro-Quasistatic Human Body Communication (EQS-HBC) system for simultaneous sensing and transmission of biopotential signals. In this work, detailed analysis on the system level interaction between the sensing and transmitting circuitry is studied and a design to enable simultaneous sensing and transmission is proposed. Experimental analysis was performed to understand the interaction between the Right Leg-Drive circuitry and the HBC transmission along with the effect of the ADC quantization on signal quality. Finally, experimental trials proves that EKG signals can be transmitted through the body with greater than 96% correlation when compared to Bluetooth systems at extremely low powers. </p> </div> </div> </div> </div> </div> </div> </div> </div> </div>
26

Unwrapping the Emporium: Hudson’s Bay Company and the Legacy of Department Store Management in the Global Culture of Retailing

Rosebush, Emily January 2021 (has links)
Between the 1850s to the 1960s, the department store emerged as a prominent retail format worldwide. As a retail format, the department store model broke away from pre-existing retailer and consumer conceptions of shopping and the shopping environment. Store leaders placed their focus on creating an uplifting mode of consumerism that perpetuated the department store as an ‘experience.’ However, behind the department store’s ‘magical’ façade, store management preplanned and manipulated consumer interactions with every part of the store. The managerial techniques managers used allowed these institutions to become an epicentre of consumerism and urban culture globally. The department store has lost its reputation as a vibrant shopping location in the digital age, and retailers and consumers alike have disregarded it as solely a monument of retail nostalgia. Nonetheless, today’s retailers still have much to learn from the ways department store leaders innovated. The management techniques used in department stores can provide insight into these institutions’ successes and pitfalls when navigating changing retail circumstances. If the department store is used as a tool of managerial know-how for retailers in the digital age, it could allow other retailers to sustain a semblance of the department store’s longevity, commercially and culturally. Hudson’s Bay, a remaining store in the Canadian department store industry, features as a case study to highlight the extent to which department store leaders designed and managed their stores. / Dissertation / Doctor of Philosophy (PhD) / This thesis examines the department store’s legacy as a tool of managerial know-how for retailers in the digital age. From the 1890s to the 1960s, department stores were an epicentre of consumerism and urban culture in locales worldwide. Department store management crafted store environments to create a ‘magical’ atmosphere for customers while calculating every consumer interaction with the store behind the scenes. Over the twentieth and twenty-first centuries, increased retail competition has forced many stores to close, often leaving visual façades as the sole reminders of some defunct stores. Yet, the extensive management techniques used inside and outside stores provide insight into how this retail format achieved prominence, how its leaders responded to competitors, and how department store management techniques can contribute to current retail discussions despite its continued decline.
27

Optical Properties of Organic Semiconductors: from Submonolayers to Crystalline Films / Optische Eigenschaften organischer Halbleiter: von Submonolagen zu kristallinen Filmen

Nitsche, Robert 12 April 2006 (has links) (PDF)
We have measured the optical properties of films of the organic semiconductors PTCDA (3,4:9,10-perylene-tetracarboxylic dianhydride) and HBC (peri-hexabenzocoronene), prepared by Organic Molecular Beam Expitaxy (OMBE), on different substrates by means of Differential Reflectance Spectroscopy (DRS). The optical setup enables us to directly follow the thickness dependent optical properties of the organic films, starting from submonolayer coverage up to thicker films on the order of 20 monolayers (ML) film thickness. Due to the different optical nature of the different substrates used, i.e., mica, glass, Au(111), and HOPG, the direct interpretation of the DRS signal is not feasible. Therefore, we have proposed a method by which the calculation of the optical constants n (index of refraction) and k (absorption index) of thin films on arbitrary substrates from just one spectral measurement (in our case the DRS) becomes possible. The results fulfill a priori a Kramers-Kronig consistency and no specific model is needed to express the spectral behavior of the optical constants. Based on our method, we have successfully calculated the optical constants, and therefore the absorption behavior, of films of different thickness of PTCDA on mica, glass, Au(111), and HOPG, as well as of HBC on mica, glass, and HOPG. Extrinsic effects due to island growth or the presence of a polarizable substrate (screening) have been accounted for. We have introduced a finite dipole model which considers the extended geometry and anisotropy of the organic molecules. The calculated absorption behavior is discussed in great detail in terms of spectral changes with varying film thickness, different growth modes, degree of ordering of the films, interactions with the substrates and oscillator strength. A direct observation of a monomer-dimer transition in solid films could be observed for the first time. Our results indicate an exciton delocalization over about 4 molecules for both molecules.
28

Potential Energy Minimization as the Driving Force for Order and Disorder in Organic Layers / Potentialenergie-Minimierung als Triebfeder für Ordnung und Unordnung in organischen Schichten

Wagner, Christian 15 June 2010 (has links) (PDF)
The topic of this work is the structural characterization and theoretical modeling of organic single and heterolayers. The growth of sub-monolayers and monolayers (ML) of the two polycyclic aromatic hydrocarbons quaterrylene (QT) and hexa-peri-hexabenzocoronene (HBC) on Ag(111) and Au(111) was investigated. A transition from a disordered, isotropic phase to an ordered phase with increasing coverage was found. The lattice of the ordered phase turned out to be coverage dependent. The intermolecular potential was modeled including Coulomb and van der Waals interaction by a force-field approach. The postulated repulsive character of the potential could be connected to the non-uniform intramolecular charge distribution and to a screening of the van der Waals forces. Furthermore, the influence of the variable lattice constant on the epitaxial growth of HBC was studied. The second part of this work deals with a ML of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) on a ML of HBC. In dependency on the initial lattice constant of HBC, a total of three line-on-line (LOL) and point-on-line coincident phases of PTCDA (with respect to HBC) was found. Following an analysis of the general properties of LOL coincident systems via force-field calculations, a new method to predict the structure of such systems is introduced. / Thema dieser Arbeit ist die strukturelle Charakterisierung von organischen Einfach- und Heterolagen sowie deren theoretische Beschreibung und Modellierung. Es wurden Submonolagen und Monolagen (ML) der polyzyklischen Kohlenwasserstoffe Quaterrylen (QT) und Hexa-peri-hexabenzocoronen (HBC) auf Ag(111) und Au(111) Einkristallen untersucht und ein Übergang von einer ungeordneten, isotropen Phase zu einer geordneten Phase mit steigender Bedeckung beobachtet. Die geordnete Phase wies dabei bedeckungsabhängige Gitterkonstanten auf. Das intermolekulare Potential wurde unter Berücksichtigung von Coulomb und van der Waals Anteilen mittels Kraftfeldmethoden modelliert. Der postulierte repulsive Charakter des Potentials konnte auf die Ladungsverteilung im Molekül und eine Abschwächung des van der Waals Potentials zurückgeführt werden. Weiterhin wurde der Einfluss der variablen HBC Gitterkonstante auf die epitaktische Relation des Gitters zum Metallsubstrat untersucht. Der zweite Teil der Arbeit widmet sich der Untersuchung einer ML 3,4,9,10-Perylenetetracarboxylic dianhydrid (PTCDA) auf einer ML HBC. Dabei wurden, in Abhängigkeit von der HBC Gitterkonstante, insgesamt drei verschiedene Typen von line-on-line bzw. point-on-line Epitaxie nachgewiesen. Im Anschluss an eine Analyse der generellen Eigenschaften solcher epitaktischer Lagen mittels Kraftfeldrechnungen wird eine neue Methode zur Vorhersage der Struktur konkreter Systeme vorgestellt.
29

Optical Properties of Organic Semiconductors: from Submonolayers to Crystalline Films

Nitsche, Robert 23 November 2005 (has links)
We have measured the optical properties of films of the organic semiconductors PTCDA (3,4:9,10-perylene-tetracarboxylic dianhydride) and HBC (peri-hexabenzocoronene), prepared by Organic Molecular Beam Expitaxy (OMBE), on different substrates by means of Differential Reflectance Spectroscopy (DRS). The optical setup enables us to directly follow the thickness dependent optical properties of the organic films, starting from submonolayer coverage up to thicker films on the order of 20 monolayers (ML) film thickness. Due to the different optical nature of the different substrates used, i.e., mica, glass, Au(111), and HOPG, the direct interpretation of the DRS signal is not feasible. Therefore, we have proposed a method by which the calculation of the optical constants n (index of refraction) and k (absorption index) of thin films on arbitrary substrates from just one spectral measurement (in our case the DRS) becomes possible. The results fulfill a priori a Kramers-Kronig consistency and no specific model is needed to express the spectral behavior of the optical constants. Based on our method, we have successfully calculated the optical constants, and therefore the absorption behavior, of films of different thickness of PTCDA on mica, glass, Au(111), and HOPG, as well as of HBC on mica, glass, and HOPG. Extrinsic effects due to island growth or the presence of a polarizable substrate (screening) have been accounted for. We have introduced a finite dipole model which considers the extended geometry and anisotropy of the organic molecules. The calculated absorption behavior is discussed in great detail in terms of spectral changes with varying film thickness, different growth modes, degree of ordering of the films, interactions with the substrates and oscillator strength. A direct observation of a monomer-dimer transition in solid films could be observed for the first time. Our results indicate an exciton delocalization over about 4 molecules for both molecules.
30

Potential Energy Minimization as the Driving Force for Order and Disorder in Organic Layers

Wagner, Christian 07 June 2010 (has links)
The topic of this work is the structural characterization and theoretical modeling of organic single and heterolayers. The growth of sub-monolayers and monolayers (ML) of the two polycyclic aromatic hydrocarbons quaterrylene (QT) and hexa-peri-hexabenzocoronene (HBC) on Ag(111) and Au(111) was investigated. A transition from a disordered, isotropic phase to an ordered phase with increasing coverage was found. The lattice of the ordered phase turned out to be coverage dependent. The intermolecular potential was modeled including Coulomb and van der Waals interaction by a force-field approach. The postulated repulsive character of the potential could be connected to the non-uniform intramolecular charge distribution and to a screening of the van der Waals forces. Furthermore, the influence of the variable lattice constant on the epitaxial growth of HBC was studied. The second part of this work deals with a ML of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) on a ML of HBC. In dependency on the initial lattice constant of HBC, a total of three line-on-line (LOL) and point-on-line coincident phases of PTCDA (with respect to HBC) was found. Following an analysis of the general properties of LOL coincident systems via force-field calculations, a new method to predict the structure of such systems is introduced.:1 Introduction 2 Experimental Methods 2.1 Organic molecular beam epitaxy 2.2 Scanning tunneling microscopy (STM) 2.3 Low-energy electron diffraction (LEED) 2.4 Molecules and substrates: Basic properties and literature review 2.4.1 3,4,9,10-Perylenetetracarboxylic dianhydride 2.4.2 Hexa-peri-hexabenzocoronene 2.4.3 Quaterrylene 2.4.4 Metal substrates: Au(111) and Ag(111) 3 Theory and Modeling 3.1 Reciprocal space and LEED 3.1.1 Fourier transform and geometrical LEED theory 3.1.2 Kinematic and dynamic LEED theory 3.1.3 Further applications of the Fourier transform 3.2 Computational chemistry 3.2.1 Calculating molecular properties 3.2.2 The atomic force-field method 3.2.3 Potential energy calculations in extended systems 4 Epitaxy in terms of potential energy 5 Interaction of QT and HBC at Sub-ML and ML Coverage 5.1 Experimental results 5.2 Modeling technique 5.3 Results of the model calculation 5.4 Discussion of results 5.5 Conclusion 6 The Ordered Phases of HBC on Ag(111) and Au(111 6.1 Geometrical analysis of epitaxy 6.2 Energetic gain of epitaxial structures 6.3 Comparison to experiment 6.4 Influence of the Au(111) surface reconstruction 6.5 Conclusion 7 Organic Heterosystems of PTCDA and HBC on Au(111) 7.1 PTCDA on Au(111) revisited 7.2 LEED and STM on PTCDA/HBC/Au(111) samples 7.2.1 A “compact” HBC layer substrate 7.2.2 A “loosely packed” HBC layer substrate 7.2.3 Summary of LEED results 7.2.4 STM results 7.3 Epitaxial relations in the system PTCDA/HBC/Au(111) 7.3.1 Geometrical analysis of epitaxy 7.3.2 Energetic gain of epitaxial structures 7.3.3 Mutual alignment of lattices 7.4 Heterosystems of PTCDA and HBC with inverted stacking sequence 8 General Properties of POL and LOL Epitaxy 8.1 A new coordinate system 8.2 Specific properties of the substrate-adsorbate potential 8.3 The “natural order” of the lattice lines 8.4 Prediction of epitaxial growth - a “LOL predictor” 8.4.1 Method 8.4.2 Results 9 General Conclusions and Future Perspectives 9.1 Conclusion 9.2 Outlook Appendix A.1 Conductance in a STM: The 1D WKB model A.2 Extraction of the DOS from STS measurements by means of the 1D WKB model A.3 Practical application of the 1D WKB model A.4 The normalized differential conductivity A.5 A new normalization method / Thema dieser Arbeit ist die strukturelle Charakterisierung von organischen Einfach- und Heterolagen sowie deren theoretische Beschreibung und Modellierung. Es wurden Submonolagen und Monolagen (ML) der polyzyklischen Kohlenwasserstoffe Quaterrylen (QT) und Hexa-peri-hexabenzocoronen (HBC) auf Ag(111) und Au(111) Einkristallen untersucht und ein Übergang von einer ungeordneten, isotropen Phase zu einer geordneten Phase mit steigender Bedeckung beobachtet. Die geordnete Phase wies dabei bedeckungsabhängige Gitterkonstanten auf. Das intermolekulare Potential wurde unter Berücksichtigung von Coulomb und van der Waals Anteilen mittels Kraftfeldmethoden modelliert. Der postulierte repulsive Charakter des Potentials konnte auf die Ladungsverteilung im Molekül und eine Abschwächung des van der Waals Potentials zurückgeführt werden. Weiterhin wurde der Einfluss der variablen HBC Gitterkonstante auf die epitaktische Relation des Gitters zum Metallsubstrat untersucht. Der zweite Teil der Arbeit widmet sich der Untersuchung einer ML 3,4,9,10-Perylenetetracarboxylic dianhydrid (PTCDA) auf einer ML HBC. Dabei wurden, in Abhängigkeit von der HBC Gitterkonstante, insgesamt drei verschiedene Typen von line-on-line bzw. point-on-line Epitaxie nachgewiesen. Im Anschluss an eine Analyse der generellen Eigenschaften solcher epitaktischer Lagen mittels Kraftfeldrechnungen wird eine neue Methode zur Vorhersage der Struktur konkreter Systeme vorgestellt.:1 Introduction 2 Experimental Methods 2.1 Organic molecular beam epitaxy 2.2 Scanning tunneling microscopy (STM) 2.3 Low-energy electron diffraction (LEED) 2.4 Molecules and substrates: Basic properties and literature review 2.4.1 3,4,9,10-Perylenetetracarboxylic dianhydride 2.4.2 Hexa-peri-hexabenzocoronene 2.4.3 Quaterrylene 2.4.4 Metal substrates: Au(111) and Ag(111) 3 Theory and Modeling 3.1 Reciprocal space and LEED 3.1.1 Fourier transform and geometrical LEED theory 3.1.2 Kinematic and dynamic LEED theory 3.1.3 Further applications of the Fourier transform 3.2 Computational chemistry 3.2.1 Calculating molecular properties 3.2.2 The atomic force-field method 3.2.3 Potential energy calculations in extended systems 4 Epitaxy in terms of potential energy 5 Interaction of QT and HBC at Sub-ML and ML Coverage 5.1 Experimental results 5.2 Modeling technique 5.3 Results of the model calculation 5.4 Discussion of results 5.5 Conclusion 6 The Ordered Phases of HBC on Ag(111) and Au(111 6.1 Geometrical analysis of epitaxy 6.2 Energetic gain of epitaxial structures 6.3 Comparison to experiment 6.4 Influence of the Au(111) surface reconstruction 6.5 Conclusion 7 Organic Heterosystems of PTCDA and HBC on Au(111) 7.1 PTCDA on Au(111) revisited 7.2 LEED and STM on PTCDA/HBC/Au(111) samples 7.2.1 A “compact” HBC layer substrate 7.2.2 A “loosely packed” HBC layer substrate 7.2.3 Summary of LEED results 7.2.4 STM results 7.3 Epitaxial relations in the system PTCDA/HBC/Au(111) 7.3.1 Geometrical analysis of epitaxy 7.3.2 Energetic gain of epitaxial structures 7.3.3 Mutual alignment of lattices 7.4 Heterosystems of PTCDA and HBC with inverted stacking sequence 8 General Properties of POL and LOL Epitaxy 8.1 A new coordinate system 8.2 Specific properties of the substrate-adsorbate potential 8.3 The “natural order” of the lattice lines 8.4 Prediction of epitaxial growth - a “LOL predictor” 8.4.1 Method 8.4.2 Results 9 General Conclusions and Future Perspectives 9.1 Conclusion 9.2 Outlook Appendix A.1 Conductance in a STM: The 1D WKB model A.2 Extraction of the DOS from STS measurements by means of the 1D WKB model A.3 Practical application of the 1D WKB model A.4 The normalized differential conductivity A.5 A new normalization method

Page generated in 0.0322 seconds