The design of organic electronic devices is heavily dependent upon the orientation of the molecular solid which influences the direction that charge carriers are able to traverse across the π-system. In this work, thin films of copper phthalocyanine (CuPc) were deposited using thermal deposition over SiO2 and CuI both substrates having demonstrated the ability to confer different orientations onto thermally evaporated CuPc. A variety of scattering and spectroscopic techniques were utilized to characterize the electronic, chemical, and crystalline structures of CuPc to determine the effects that the substrates have over these structures when the molecule's self-assembly is altered. The findings in this study will be integrated into future works as reference points and control studies in order to draw meaningful and direct connections between MPcs that have differing electron affinity, transition metal cores, and functional groups as well as multi-layers of various MPcs within unique heterojunctions.

Submitted by Paula Andreia Petrini (paula.petrini@yahoo.com.br) on 2018-05-02T16:19:17Z No. of bitstreams: 1 2018_Dissertação_MS_Paula_Petrini_final.pdf: 4085214 bytes, checksum: da32a03d5bb301af130de6f96b52316f (MD5) / Approved for entry into archive by Lucilene Cordeiro da Silva Messias null (lubiblio@bauru.unesp.br) on 2018-05-03T12:28:49Z (GMT) No. of bitstreams: 1 petrini_pa_me_bauru.pdf: 4085214 bytes, checksum: da32a03d5bb301af130de6f96b52316f (MD5) / Made available in DSpace on 2018-05-03T12:28:49Z (GMT). No. of bitstreams: 1 petrini_pa_me_bauru.pdf: 4085214 bytes, checksum: da32a03d5bb301af130de6f96b52316f (MD5) Previous issue date: 2018-03-02 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES) / Conhecido como o ramo da ciência que utiliza camadas moleculares ativas para agregar novas funcionalidades a dispositivos, a eletrônica molecular apresenta propostas promissoras para o futuro. Uma classe de pequenas moléculas semicondutoras que vem sendo explorada devido ao seu potencial na fabricação de diferentes dispositivos é a das ftalocianinas de cobre (CuPc). Entretanto, poucos trabalhos presentes na literatura relatam a relação entre a características elétricas dos filmes orgânicos e sua espessura em nanoescala. Tal fato é explicado pela dificuldade na deposição de contatos elétricos sobre as camadas moleculares, dado que os métodos atualmente empregados podem vir a danificá-las. Nesse contexto, essa dissertação apresenta a fabricação de um capacitor hibrido ultracompacto (h-Cap) constituído por metal / óxido dielétrico / camada molecular / Metal como uma plataforma para acessar as propriedades elétricas de camadas moleculares. Utilizando como a camada metálica a combinação de filmes finos de ouro, titânio e cromo, óxido de alumínio (Al2O3) para o dielétrico e filmes finos de CuPc como camadas moleculares, os h-Caps são fabricados a partir da técnica roll-up. Para a deposição dos filmes metálicos foi utilizado a técnica de evaporação térmica por feixe de elétrons, a técnica de deposição por camada atômica foi utilizada para a deposição do Al2O3 e pôr fim a técnica de deposição por evaporação por filamento resistivo para as camadas moleculares de CuPc. As características geométricas e estruturais dos h-Caps foram obtidas utilizando microscópios ópticos e eletrônico de varredura. Para a caracterização topográfica do filme de CuPc foi utilizado um microscópio de força atômica. Quanto a caracterização elétrica, foram realizadas medidas de corrente-tensão nos dispositivos, com a finalidade de obter os parâmetros de transportes. A resposta dielétrica do dispositivo foi avaliada utilizando a técnica de espectroscopia de impedância de modo a fornecer medidas de capacitância-frequência, permitindo relacionar a espessura e a constante dielétrica do filme de CuPc (kCuPc). Para os filmes de CuPc entre 5 a 20 nm foi obtido o valor de kCuPc = 4,5 ± 0,5, mostrando que a técnica proposta é uma excelente alternativa para caracterização dielétrica de camadas ultrafinas de semicondutores orgânicos. / Known as the branch of science that uses active molecular layers to add new functionality to devices, molecular electronics presents promising proposals for the future. A class of small semiconductor molecules being exploited due to its potential in the manufacture of different devices is that of copper phthalocyanines (CuPc). However, few papers in the literature report the relationship between the electrical characteristics of organic films and their thickness at the nanoscale. This fact is explained by the difficulty in the deposition of electrical contacts on the molecular layers, since the methods currently used may damage them. In this context, this dissertation presents the fabrication of an ultracompact hybrid capacitor (h-Cap) consisting of metal / dielectric oxide / molecular layer / metal as a platform to access the electrical properties of molecular layers. Used as the metallic layer is the combination of thin films of gold, titanium and chromium, aluminum oxide for the dielectric and thin films of CuPc as molecular layers, the h-Cap are formed from the roll-up technique. For the deposition of the metallic films was used the thermal evaporation technique by electron beam, the technique of deposition by atomic layer was used for the deposition of Al2O3 and finally the technique of deposition by evaporation by resistive filament for the molecular layers of CuPc . The geometric characteristics of the h-Caps were obtained using optical and scanning electron microscopes. For the topographic characterization of the CuPc film was used to an atomic force microscope. As for the electrical characterization, current-voltage measurements, the h-Caps were evaluated as a function of CuPc thickness (5 to 50 nm) in order to extract their transport parameters. The dielectric response of the device was evaluated using the impedance spectroscopy technique to provide capacitance-frequency measurements, making it possible to relate the thickness and dielectric constant of the CuPc film (kCuPc). For the CuPc films between 5 and 20 nm, the value of kCuPc = 4.5 ± 0.5 was obtained, showing that the proposed technique is an excellent alternative for the dielectric characterization of ultrafine layers of organic semiconductors.

In this work, organic solar cells of the configuration ITO/Pedot:PSS/CuPc/PTCBI/Al (Indium tin oxide/poly(3,4-ethylenedioxythiophene): polystyrene sulfonic acid/copper phthalocyanine/3,4,9,10-perylenetetracarboxylic bisbenzimidazole/aluminum) were investigated. A high open-circuit voltage (Voc) of 1.15 V was obtained when the PTCBI layer was 7 nm thick. Lower Voc values were observed for the same structure with silver, copper and gold electrodes instead of aluminum. However, short-circuit current density (Jsc) with these electrodes was much higher (4 mA/cm2) than in the case of aluminum (0.12 mA/cm2). Results were interpreted in terms of a modified CuPc/Al Schottky diode for the thin PTCBI case and a CuPc/PTCBI heterojunction for the thick PTCBI case. Also, the formation of a thin, protective aluminum oxide layer under the aluminum electrode was postulated. For devices with silver, copper and gold electrodes, absence of this protective layer was thought to be the cause of a relatively lower Voc and higher Jsc.

Organic solar cells are cheaper and much easier to fabricate than the conventional inorganic solar cells, but they suffer from low efficiencies due to low carrier mobilities in organic films. In this study Copper Phthalocyanine (CuPc) and Buckminster Fullerene (C60) based Schottky diodes were fabricated on ITO coated glass substrates to study their performance and a study of the effect of thickness on the cell parameters of CuPc Schottky diodes was made. Also, TiO2 based devices were studied to see the effect of TiO2 layer on the cell parameters. The J-V curves were analyzed for series resistance, diode ideality factor and reverse saturation current density. The devices were also characterized by SEM and XRD measurements.

The field of hybrid electronics of molecules and traditional semiconductors is deemed to be a realistic route towards possible use of molecular electronics. Such hybrid electronics finds its potential technological applications in nuclear detectors, near-infrared detectors, organic thin film transistors and gas sensors. Specifically Metal / organic / n-Silicon structures in this regard are mostly reported to have two regimes of charge transport at lower and higher applied voltages in such two terminal devices. The fact is mostly attributed to the change in conduction mechanism while moving from lower to higher applied voltages. These reports describe interactions between the semiconductors and molecules in terms of both transport and electrostatics but finding the exact potential distribution between the two components still require numerical calculations. The challenge in this regard is to give the exact relations and the transport models, towards practical quantification of charge transport properties of metal / organic / inorganic semiconductor devices. Some of the most exiting questions in this regard are; whether the existing models are sufficient to describe the device performances of the hybrid devices or some new models are needed? What type of charge carriers are responsible for conduction at lower and higher applied voltages? What is the source of such charge carriers in the sandwiched organic layer between the metal and inorganic semiconductors? How the transition applied voltage for the change in conduction mechanism is determined? What is the role of dopants in the organic layer semiconductors? What are the possible explanations for observed temperature effects in such devices? In present work the charge transport properties of metal / metal-phthalocyanine / n-Si structures with low (ND = 4×1014 cm-3), medium (ND = 1×1016 cm-3) and high (ND = 2×1019 cm-3) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in these devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc / n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc / n-Si interface of the devices. The results also suggest that the work function difference at the CuPc / n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc / n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al / ZnPc / medium n-Si and Au / ZnPc / medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc / n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the Schottky depletion region at the ZnPc / n-Si interface of these devices is found to be similar for both the devices, therefore, the higher work function difference at the metal / ZnPc interface of the devices has no influence on the Schottky depletion region formed at the ZnPc / n-Si interface of the devices. The similar diode ideality factor, barrier height and the width of the Schottky depletion region, determined for both of these devices, demonstrates that these device characteristics originate from ZnPc / n-Si interface of these devices. Therefore, the work function difference at the metal / ZnPc interface of these devices has no noticeable influence on the device properties originating from ZnPc / n-Si interface in these devices. The investigation of charge transport properties of Al / CuPc / low n-Si devices with and without air exposure of the CuPc film, before depositing metal contact demonstrate that Schottky-type conduction mechanism dominates the charge transport in these devices up to bias of 0.45 V in case devices with the air exposure, and up to 0.8 V in case devices without the air exposure. This decrease in the threshold voltage, for the change in conduction mechanism in the devices, is attributed to wider Schottky depletion width determined at the CuPc / n-Si interface of the devices without the air exposure of CuPc film. For higher voltage the space-charge-limited conduction controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices without the air exposure of CuPc, and in case of devices with the air exposure of CuPc film, the SCLC is controlled by single dominating trap level probably introduced by oxygen impurities.

The field of hybrid electronics of molecules and traditional semiconductors is deemed to be a realistic route towards possible use of molecular electronics. Such hybrid electronics finds its potential technological applications in nuclear detectors, near-infrared detectors, organic thin film transistors and gas sensors. Specifically Metal / organic / n-Silicon structures in this regard are mostly reported to have two regimes of charge transport at lower and higher applied voltages in such two terminal devices. The fact is mostly attributed to the change in conduction mechanism while moving from lower to higher applied voltages. These reports describe interactions between the semiconductors and molecules in terms of both transport and electrostatics but finding the exact potential distribution between the two components still require numerical calculations. The challenge in this regard is to give the exact relations and the transport models, towards practical quantification of charge transport properties of metal / organic / inorganic semiconductor devices. Some of the most exiting questions in this regard are; whether the existing models are sufficient to describe the device performances of the hybrid devices or some new models are needed? What type of charge carriers are responsible for conduction at lower and higher applied voltages? What is the source of such charge carriers in the sandwiched organic layer between the metal and inorganic semiconductors? How the transition applied voltage for the change in conduction mechanism is determined? What is the role of dopants in the organic layer semiconductors? What are the possible explanations for observed temperature effects in such devices? In present work the charge transport properties of metal / metal-phthalocyanine / n-Si structures with low (ND = 4×1014 cm-3), medium (ND = 1×1016 cm-3) and high (ND = 2×1019 cm-3) doped n-Si as injecting electrode and the effect of air exposure of the vacuum evaporated metal-phthalocyanine film in these structures is investigated. The results obtained through temperature dependent electrical characterizations of the structures suggest that in terms of dominant conduction mechanism in these devices Schottky-type conduction mechanism dominates the charge transport in low-bias region of these devices up to 0.8 V, 0.302 V and 0.15 V in case of low, medium and high doped n-Silicon devices. For higher voltages, in each case of devices, the space-charge-limited conduction, controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices. The interface density of states at the CuPc / n-Si interface of the devices are found to be lower in case of lower work function difference at the CuPc / n-Si interface of the devices. The results also suggest that the work function difference at the CuPc / n-Si interface of these devices causes charge transfer at the interface and these phenomena results in formation of interface dipole. The width of the Schottky depletion region at the CuPc / n-Si interface of these devices is found to be higher with higher work function difference at the interface. The investigation of charge transport properties of Al / ZnPc / medium n-Si and Au / ZnPc / medium n-Si devices suggest that the Schottky depletion region formed at the ZnPc / n-Si interface of these devices determines the charge transport in the low-bias region of both the devices. Therefore, the Schottky-type (injection limited) and the space-charge-limited (bulk limited) conduction are observed in the low and the high bias regions of these devices, respectively. The determined width of the Schottky depletion region at the ZnPc / n-Si interface of these devices is found to be similar for both the devices, therefore, the higher work function difference at the metal / ZnPc interface of the devices has no influence on the Schottky depletion region formed at the ZnPc / n-Si interface of the devices. The similar diode ideality factor, barrier height and the width of the Schottky depletion region, determined for both of these devices, demonstrates that these device characteristics originate from ZnPc / n-Si interface of these devices. Therefore, the work function difference at the metal / ZnPc interface of these devices has no noticeable influence on the device properties originating from ZnPc / n-Si interface in these devices. The investigation of charge transport properties of Al / CuPc / low n-Si devices with and without air exposure of the CuPc film, before depositing metal contact demonstrate that Schottky-type conduction mechanism dominates the charge transport in these devices up to bias of 0.45 V in case devices with the air exposure, and up to 0.8 V in case devices without the air exposure. This decrease in the threshold voltage, for the change in conduction mechanism in the devices, is attributed to wider Schottky depletion width determined at the CuPc / n-Si interface of the devices without the air exposure of CuPc film. For higher voltage the space-charge-limited conduction controlled by exponential trap distribution, is found to dominate the charge transport properties of the devices without the air exposure of CuPc, and in case of devices with the air exposure of CuPc film, the SCLC is controlled by single dominating trap level probably introduced by oxygen impurities.:1 INTRODUCTION 3 1.1 Organic / Inorganic Semiconductor Interfaces 5 1.2 Organic / Metal Interfaces 6 1.3 Organic Material / Semiconductor Interfaces 6 1.4 Interface Dipoles at Organic / Inorganic Interfaces 7 1.5 Objectives of the Study 9 1.6 Research Methodology 10 1.7 References 12 2 BASIC CONCEPTS OF ORGANIC ELECTRONICS 16 2.1 Localized and Delocalized Orbital in Organic Semiconductors 16 2.2 Operating principle of some basic organic / inorganic devices 19 2.3 Electronic Structure of an Organic Solid 20 2.4 Validity Limits of band model and the tunneling model 21 2.5 Dark Electric Conduction 23 2.6 Injection of Carriers from Electrodes 24 2.7 References 26 3 MATERIALS AND DEVICE FABRICATION 27 3.1 Assembly of the hybrid organic / inorganic structures 27 3.2 The Vacuum Systems for Device Fabrication 27 3.3 The n-Si substrates 29 3.4 The Organic semiconductors; CuPc and ZnPc 30 3.5 Sample Fabrication Procedures 32 3.5.1 Experimental Details of Samples Prepared at PCRET labs 32 3.5.2 Experimental details of samples Prepared at TU Chemnitz labs 33 3.6 References 34 4 METHODS FOR DATA ANALYSIS 35 4.1 The Dominant Conduction Mechanisms in the Devices 35 4.1.1 Schottky-type Conduction 35 4.1.1.1 The Standard Characterization Technique 38 4.1.1.2 The R. J. Bennett Technique 39 4.1.1.3 The Cheung and Cheung Technique 42 4.1.1.4 The H. Norde Technique 42 4.1.2 Space Charge Limited Conduction (SCLC) 43 4.1.3 The MIM Models to Determine Dominant Conduction Mechanism 44 4.2 Interface State Energy Distribution 46 4.3 References 48 5 CHARGE TRANSPORT PROPERTIES OF Al / CuPc / n-Si DEVICES IN DARK 50 5.1 Charge Transport Properties of Al / CuPc / low-doped n-Si Devices 51 5.1.1 Interface State Energy Distribution 65 5.2 Charge Transport Properties of Al / CuPc / medium-doped n-Si Devices 67 5.3 Charge Transport Properties of Al / CuPc / High-doped n-Si Devices 75 5.3.1 Charge Transport Properties of Al / CuPc / High-doped n-Si Devices as Metal-Insulator-Metal Structures 82 5.4 Summary 85 5.5 Final Remarks 87 5.6 References 88 6 INFLUENCE OF TOP METAL CONTACT ON CHARGE TRANSPORT PROPERTIES META / ZnPc / n-Si DEVICES IN DARK 89 6.1 Charge Transport Properties of Metal / ZnPc / Medium-doped n-Si Devices 89 6.2 Interface State Energy Distribution 99 6.3 Summary 100 6.4 Final Remarks 101 6.5 References 103 7 INFLUENCE AIR EXPOSURE ON THE CHARGE TRANSPORT PROPERTIES OF Al / CuPc / n-Si DEVICES 104 7.1 Charge Transport Properties of Al / CuPc / low n-Si Devices With (or) without air exposure of CuPc film 104 7.2 Summary 115 7.3 Final Remarks 116 7.4 References 117 8 CONCLUSIONS 118 8.1 Scope of Future Work 120 Index of Figures 121 Curriculum Vitae and List of Publications 125

Pseudomonas aeruginosa est une bactérie à Gram négatif à caractère ubiquitaire que l’on retrouve dans une grande diversité d’environnements. C’est un pathogène opportuniste qui est responsable chez l’homme d’infections chroniques ou aigües qui peuvent être mortelles pour des patients immuno-déficients. L’établissement d’une infection chronique est généralement associé à la capacité de la bactérie à former un biofilm, qui se définit comme une population bactérienne attachée sur une surface et englobée par une matrice extracellulaire formée entre autre depolysaccharides. La formation du biofilm est un processus bien défini dans le temps et dans l’espace et qui implique la mise en jeu de nombreuses structures de surfaces dont l’assemblage est strictement contrôlé. Une des voies de régulation contrôlant cet assemblage est le système à 2composants Roc1 (« regulation of cup genes »). Les gènes cup codent des composants de la voie « chaperone-usher » qui permet le transport de sous-unités pilines et leur assemblage à la surface bactérienne sous forme de pili. Ces pili Cup sont important dans l’établissement du biofilm. Le système Roc1 est aussi impliqué dans la mise en place du système de sécrétion de type III, qui est communément associé aux infections aigues. De fait le système Roc1 peut être considéré comme un «interrupteur» décidant du mode d’infection associé à P. aeruginosa. Le système Roc1 est constitué d’un senseur non-orthodoxe (RocS1) et de deux régulateurs de réponse, RocA1 et RocR, dont le domaine effecteur est un domaine de liaison à l’ADN ou un domaine EAL à activité phosphodiesterase, respectivement. Il existe également d’autres gènes paralogues de Roc1 qui sont le système Roc2 avec RocS2 et RocA2 très similaire à RocS1 et RocA1, ainsi que RocS3 similaire à RocS1. Le travail réalisé au cours de ma thèse a montré qu’il existe une régulation croisée entre Roc1 etRoc2. Cependant, chacune des branches du réseau de régulation contrôle l’expression d’une série de gènes bien spécifiques. Nous avons montré que la signalisation via RocS2 et RocS1 lorsqu’elle converge sur RocA1 contrôle l’expression des gènes cupC et ce contrôle est totalement indépendantde RocA2. Par contre lorsque la signalisation RocS1 et RocS2 converge vers RocA2 alors ce sont les gènes mexAB-oprM, qui codent une pompe d’efflux impliquée dans la résistance aux antibiotiques, dont l’expression est alors réprimée.En conclusion, nous avons mis en évidence un modèle unique de régulation croisée qui résulte dans un effet antagoniste entre formation du biofilm et résistance aux antibiotiques. Si cela peut paraître inattendu, quelques données cliniques sont en faveur d’une telle balance. En effet, l’analyse de souches de P. aeruginosa, isolées à partir de patients atteints de mucoviscidose, révèle que dans ces isolats la pompe MexAB-OprM est inactive. La raison de cette adaptation n’est pas élucidée, mais l’absence de pompe fonctionnelle pourrait procurer un avantage, une meilleure aptitude à la souche à persister dans cet environnement. Il est également reconnu que dans les poumons de ces patients le mode préféré de développement pour P. aeruginosa est le biofilm. Mises bout à bout ces observations suggèrent donc que le système Roc pourrait être un système de régulation important pour percevoir l’environnement du poumon chez le patient mucoviscidosique et déclencher une réponse adaptée. / The opportunistic pathogen Pseudomonas aeruginosa is responsible for diverse chronic and acute infections in human. Chronic infections are associated with the capacity of P. aeruginosa to form biofilms. One of the pathways controlling biofilm formation is the Roc1 two-component system, involved in the regulation of cup genes allow the assembly of thin fimbriae at the surface of the bacterium. Cup fimbiae are important in biofilm formation. There exist paralogues of the Roc1 system - the Roc2 and Roc3 system. The work in this thesis has shown that cross-regulation occurs between Roc1 and Roc2. However, each branch in this network appears to control the expression of a specific subset of genes whose role and functions are striking in the context of an infection process. We characterized here a unique model of cross-regulation which results in the antagonistic regulation of biofilm formation and antibiotic resistance

In the scope of this diploma thesis the optical properties of organic multilayers and mixed layers were investigated by means of spectroscopic ellipsometry und infrared spectroscopy. The samples were prepared by organic molecular beam deposition in high vacuum on hydrogen passivated Silicon(111) substrates. The structures consist either of N,N-Di(naphthalene-1-yl)-N,N`-diphenyl-benzidine (a-NPD) and tris(8-hydroxyquinoline) aluminium (Alq3) or 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA) and copper phthalocyanine (CuPc). The optical response of the multilayers consisting of Alq3 and a-NPD could be modelled using the isotropic dielectric functions of single layers assuming sharp interfaces. The planar structure of PTCDA and the CuPc molecules and their orientation in the stack lead to an overlapping of the p-orbitals strongly influencing the optical properties and the orientation of the molecules. It was found that in multilayers as well as in mixed layers the CuPc molecules adopt the orientation of PTCDA molecules with the molecular plane parallel to the substrate. The multilayers were described using the anisotropic dielectric functions of the constituents including intermixing and roughness at the interfaces. The deviation between the simulation and the experiment suggests an electronic interaction due to coupling between the p-orbitals of CuPc and PTCDA at the interfaces. The simulation of the mixed layers reveals a change in line shape of the Q-band of CuPc. Beside ellipsometry and infrared spectroscopy techniques like x-ray reflectometry and AFM were used for investigations. Additionally in this diploma thesis a special sample holder and manipulator was designed with which in-situ-ellipsometry measurements in ultra high vacuum can be performed. / Im Rahmen dieser Diplomarbeit wurden die optischen Eigenschaften von organischen Multilayern und Mischschichten untersucht. Die Schichtstrukturen wurden im Hochvakuum nach dem Verfahren der organischen Molekularstrahldeposition (OMBD) auf H-passivierten Silizium(111)-Substraten hergestellt. Die optische Charakterisierung erfolgte mit dem Verfahren der spektroskopischen Ellipsometrie und der Infrarotspektroskopie. Dabei wurden zwei verschiedene Materialienpaarungen untersucht, die zum einen aus den organischen Substanzen Aluminium 8-Hydroxichinolat (Alq3) und N,N'-Di(1-naphthyl)-N,N'-diphenylbenzidin (a-NPD) und zum anderen aus Perylentetracarbonsäuredianhydrid (PTCDA) und Kupferphthalocyanin (CuPc) bestanden. Das optische Verhalten der Multilayer und der Mischschichten bestehend aus Alq3 und a-NPD konnte mit den isotropen dielektrischen Funktionen der Einzelschichten simuliert werden. In den PTCDA/CuPc-Schichtsystemen führt die planare Struktur der Moleküle zu einer starken Überlappung der p-Orbitale, was einen großen Einfluss auf die optischen Eigenschaften und die Orientierung der Moleküle hat. Es wurde festgestellt, dass sowohl in den Multilayern als auch in den Mischschichten die CuPc-Moleküle die Anordnung der PTCDA-Moleküle annehmen. Die Multilayer wurden unter Verwendung der anisotropen dielektrischen Funktionen der beteiligten Materialien und unter Berücksichtigung von Grenzflächenrauhigkeit simuliert. Die Unterschiede zwischen Experiment und Modell sind auf eine Kopplung zwischen den p-Orbitalen zurückzuführen. Die Simulationen der Mischschichten zeigten eine Veränderung der Linienform des Q-Bandes von CuPc. Als Untersuchungsmethoden kamen neben der Ellipsometrie und der Infrarotspektroskopie auch die Röntgen-Reflektometrie und das AFM zum Einsatz. Darüber hinaus wurde in dieser Arbeit eine Messeinrichtung aufgebaut, mit der in-situ-Ellipsometriecharakterisierung von Proben im Ultrahochvakuum möglich ist.

Vertically aligned nanowire arrays of copper phthalocyanine (CuPc) and CuPc-Al Schottky diodes, of controllable diameter and length were fabricated by cathodic electrodeposition of CuPc into anodized alumina (AAO) templates, followed by annealing at 300 ºC in Argon. AAO over Aluminum tape and that over ITO-glass were both used as starting templates for the device fabrication. Depending on the dimensions of the starting AAO template, diameters of CuPc nanowires ranged from 30 nm to 40 nm and the lengths ranged from 500 nm to 1 μm. The temperature dependence of the phase and the absorption spectrum of the nanowires are reported. The electrodeposited nanowires (as prepared) had the preferred crystallite orientation of the α-phase. ITO formed the ohmic contact and Schottky contacts were formed between CuPc and aluminum. Insertion of a thin layer of PEDOT:PSS between CuPc nanowires and the ITO electrode improved the contact and reduced the series resistance by an order of magnitude. Schottky diodes were characterized and analyzed at room temperature and at cryogenic temperatures.

No description available.