Ce manuscrit se focalise sur l’effet de divers matériaux composites sur les différentes problématiques de compatibilité électromagnétique dans un véhicule automobile. Les modèles surfaciques des matériaux diélectriques sont validés en confrontant des résultats de mesures et de simulation de leurs permittivités. Ceux des matériaux conducteurs le sont en confrontant le modèle d’impédance de surface à un modèle filaire et en effectuant des mesures des simulations de paramètres S sur une structure majoritairement constituée par un matériau de ce type. Dans les deux cas, la technique de modélisation donne de bons résultats. L’évaluation de l’effet de ces matériaux sur les problématiques de CEM au niveau d’un véhicule est faite sur un démonstrateur qui intègre les équipements et les faisceaux embarqués dans un véhicule en les représentants par des monopôles et des fils conducteurs. L’évaluation des effets des différents matériaux composites sur les problématiques CEM est faite par mesure et simulation des couplages électromagnétiques à l’intérieur du démonstrateur et entre le démonstrateur et une antenne test. L’analyse des couplages électromagnétiques confirme que le modèle d’impédance de surface reproduit assez bien les comportements des matériaux composites étudiés. Concernant l’effet des matériaux composites sur les problématiques CEM au niveau d’un véhicule, cette étude mène à deux résultats majeurs du point de vue de la compatibilité électromagnétique. Le premier concerne l’usage des matériaux diélectriques qui augmente globalement la plupart des couplages mesurés de 5 dB à 30 dB. Le second porte sur le matériau conducteur étudié qui n’a quasiment aucun effet sur les différents couplages analysés en comparaison de la structure en acier. / The main concern of this thesis is the characterization of the impacts of some composite materials on the main electromagnetic compatibility issues in a vehicle. The surface models of the dielectric materials are validated by confronting their simulated and measured permittivity. The surface model of the studied conductive material is validated by confronting it to a wire model and by measuring and simulating the S parameters on a structure constituted by such a material. It appears in both cases of dielectric and conductive composite materials that the surface impedance modeling technique gives a good description of the materials. The analysis of the effects of these materials on the EMC issues within a vehicle is done by use of a demonstrator representing the car body. The different equipment and harnesses embedded in a vehicle are represented in the demonstrator by some wires and monopoles. The evaluation of the impact of the composite materials on the EMC issues is done by measuring and simulating the different couplings within the demonstrator and between the demonstrator and a test antenna. The analysis of the different couplings confirms that the surface impedance material modeling approach describes well the materials under test. Concerning the impact of the composite materials on the EMC issues at a vehicle level, this analysis fulfills two main results. The first one concerns the dielectric materials. Indeed the use of these materials increases the different coupling by a value varying between at least 5 dB to 30 dB. The second conclusion concerns the use of conductive composite materials. It appears that they have no effect on the different couplings in comparison to the full steel structure.

Das Ziel der vorliegenden Arbeit war es neue Wege aufzuzeigen, mit deren Hilfe Modelle der chemischen Bindung in intermetallischen Verbindungen entwickelt werden können. Diese Modelle sollten sowohl auf experimentelle als auch auf quantenchemische Befunde gestützt und physikalisch sinnvoll sein. Untersuchungsobjekt waren intermetallische AB2-Verbindungen mit der Struktur des CuAl2-Typs. Von den vielen Vertretern wurden drei Substanzklassen mit insgesamt sechs Verbindungen gewählt, nämlich CuAl2, die Stannide (MnSn2, FeSn2 und CoSn2) sowie die Antimonide (TiSb2 und VSb2). Für die Bestimmung der physikalischen Eigenschaften der Verbindungen wurden Einkristalle mit verschiedenen synthetischen Methoden (Antimonide und Stannide: Synthese in der Schmelze; FeSn2: chemischer Transport; CuAl2: modifiziertes Bridgman-Verfahren) hergestellt. Für alle Verbindungen wurden Einkristallstrukturanalysen durchgeführt, die die aus der Literatur bekannten Strukturlösungen deutlich verbessern konnten. An die Ermittlung der Existenzbedingungen schloss sich die Charakterisierung der Verbindungen hinsichtlich ihrer physikalischen Eigenschaften an. Informationen über Art und Stärke der chemischen Bindung wurden anhand von polarisierten Raman-Messungen an orientierten Einkristallen, Ermittlung der Hall-Tensor- und Widerstands-Tensor-Komponenten, XAS-Spektren und Hochdruckuntersuchungen ermittelt. Um die experimentell bestimmten Eigenschaften der Verbindungen besser verstehen zu können, wurden quantenchemische Berechnungen an den Verbindungen durchgeführt. Auf der Basis von TB-LMTO-ASA-Berechnungen wurden die Bandstrukturen und die DOS der Verbindungen ermittelt. Die anschließende Berechnung der ELF gab Hinweise auf die Bindungstopologie in den Verbindungen. Demnach ändert sich die Topologie der chemischen Bindung mit dem konstituierenden Hauptgruppenmetall und alle bindenden Wechselwir­kungen in den Verbindungen besitzen kovalenten Charakter. Zusätzlich wurden anhand von Frozen-Phonon-Berechnungen mittels LAPW-Berechnungen die Schwingungsfrequenzen der Raman-aktiven Moden der Verbindungen TiSb2, VSb2 und CuAl2 ermittelt, wodurch die experimentelle Symmetriezuordnung bestätigt werden konnte. In Zusammenarbeit mit Herrn Dr. A. Yaresko (Max-Planck-Institut für Physik komplexer Systeme, Dresden) wurden die Hall-Tensor-Komponenten der Verbindungen berechnet. Aus der großen Anzahl an Daten über die Verbindungen wurden anschließend Modelle der chemischen Bindung erstellt. Zunächst wurde anhand der Bindungs-Topologie aus den ELF-Berechnungen der Ort der partiell kovalenten Bindungen im Realraum erfasst. Basierend auf dieser Bindungstopologie wurden mit Hilfe von Kraftkonstanten-Modellen die Bindungsstärken auf der Grundlage der Raman-Daten ermittelt. Die erhaltenen Modelle wurden aufgrund von berechneten Phononen-Dispersions-Diagrammen auf ihre mechanische Stabilität hin überprüft. Die experimentellen Bindungsordnungen der verschiedenen Bindungen wurden durch Vergleich mit spektroskopischen Daten von überwiegend metallorganischen Verbindungen aus der Literatur ermittelt. Abschließend wurde die Art der chemischen Bindung aufgrund der ELF-Berechnungen, relativen Raman-Intensitäten und Daten aus der Literatur über Mößbauer- und NMR-Untersuchungen sowie den Eigenschaften der Verbindungen abgeleitet. Demnach herrscht die kovalente Bindung in diesen Verbindungen vor, zusätzlich sind jedoch freie Ladungsträger vorhanden, die für die elektrische Leitfähigkeit verantwortlich sind. Den Abschluss der Arbeit bildet ein Vergleich der verschiedenen Verbindungen hinsichtlich Topologie, Art und Stärke der chemischen Bindung und eine Weiterentwicklung der Strukturtheorie des CuAl2-Typs. Im Rahmen dieser Arbeit konnten wesentliche und neue Beiträge zum Verständnis der chemischen Bindung in intermetallischen Verbindungen mit der Struktur des CuAl2-Typs erarbeitet werden.

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As interessantes propriedades eletrônicas, mecânicas e óticas dos materiais orgânicos conjugados fizeram emergir diversas aplicações tecnológicas e comerciais em dispositivos baseados nesses materiais, tais como sensores, memórias, células solares e diodos emissores de luz poliméricos (LEDs). Neste sentido, o tema central desta tese é o estudo das propriedades elétricas e morfológicas e os mecanismos de transporte eletrônico de cargas no PEDOT:PSS, uma blenda polimérica que consiste de um policátion condutivo, o poli(3,4- etilenodioxitiofeno) (PEDOT) e do poliânion poli(estirenosulfonado) (PSS). PEDOT:PSS é amplamente usado como material de eletrodo em aplicações na área de eletrônica plástica, como mencionado anteriormente. Apesar da condutividade elétrica dos filmes finos de PEDOT:PSS possa variar várias ordens de grandeza, dependendo do método pela qual é processado e transformado em filme fino, as razões para este comportamento é essencialmente desconhecido. Esta tese descreve um estudo detalhado do transporte eletrônico de cargas anisotrópico e sua correlação com a morfologia, as condições e as dimensões da separação de fase entre os dois materiais, PEDOT e PSS. Antes de abordar as propriedades do PEDOT:PSS, uma camada de filme fino inorgânica usada para aumentar o tempo de vida de dispositivos orgânicos é descrita no Capítulo 2. Um importante mecanismo de degradação em LEDs poliméricos é a fotooxidação da camada ativa. Assim, isolar a camada ativa da água, oxigênio e luz, torna-se crucial para o aumento do tempo de vida. Um sistema de deposição química a partir da fase de vapor estimulada por plasma (PECVD) é usado para depositar filmes finos de nitreto de carbono em baixas temperaturas, menores que 100 °C, sobre PLEDs com a intenção de aumentar o tempo de vida destes dipositivos e diminuir a fotodegradação do poli[2-metoxi-5- (2-etil-hexiloxi)-p-fenileno vinileno] (MEH-PPV) em ambiente atmosférico. O filme fino de nitreto de carbono possui as características de um material que pode bloquear a umidade e que tem espessura e flexibilidade adequados para a nova geração de PLEDs flexíveis. As características dos filmes finos de nitreto de carbono e MEH-PPV foram investigadas usando-se técnicas de espectroscopia ótica, com particular ênfase no processo de degradação do MEHPPV sob iluminação. Os resultados mostraram que o filme fino de nitreto de carbono protege o filme polimérico e diminui consideravelmente a fotooxidação. Para avaliar o efeito do encapsulamento em dispositivos reais, LEDs poliméricos foram fabricados e pelas curvas de corrente-tensão um aumento no tempo de vida é confirmado quando a camada de nitreto de carbono é presente. O tempo de vida desejado, maior que 10.000 horas, para aplicações comerciais não foi atingido, entretanto, o encapsulamento pode ser melhorado otimizando as propriedades da camada de nitreto de carbono e combinando-as com camadas de outros materiais orgânicos e inorgânicos. Os capítulos seguintes deste trabalho aborda os estudos realizados com o PEDOT:PSS, uma vez que é amplamente usado em eletrônica orgânica, mas relativamente tem recebido pouca atenção com respeito ao transporte eletrônico de cargas, bem como sua correlação com a morfologia. No Capítulo 3, experimentos com microscopia de varredura por sonda (SPM, Scanning Probe Microscopy) e medidas de condutividade macroscópica são utilizados para estudar e obter um modelo 3D morfológico completo que explica, qualitativamente, a condutividade anisotrópica observada nos filmes finos de PEDOT:PSS depositados pela técnica de spin coating. Imagens topográficas de microscopia de varredura por tunelamento (STM) e imagens da seção transversal observadas com o microscópio de forca atômica (X-AFM) revelaram que o filme fino polimérico é organizado em camadas horizontais de partículas planas ricas em PEDOT, separadas por lamelas quasi-contínuas de PSS. Na direção vertical, lamelas horizontais do isolante PSS reduzem a condutividade e impõe o transporte eletrônico a ser realizado por saltos em sítios vizinhos próximos (nn-H, nearest-neighbor hopping) nas lamellas de PSS. Na direção lateral, o transporte eletrônico via saltos 3D em sítios a longas distâncias (3D-VRH, variable range hopping) ocorre entre as ilhas ricas em PEDOT que são separadas por barreiras muito mais finas de PSS, causando um aumento da condutividade nesta direção. Esta discussão é estendida ao Capítulo 4 com uma descrição quantitativa do transporte eletrônico de cargas predominantes. Particularmente, é demonstrado que o transporte de cargas via saltos 3D em sítios a longas distâncias ocorre entre ilhas ricas em PEDOT e não entre segmentos isolados de PEDOT ou dopantes na direção lateral, enquanto que na direção vertical o transporte de cargas via saltos em sítios vizinhos próximos ocorre dentro das lamelas do quasi-isolante PSS. Em algumas aplicações, faz-se necessário usar PEDOT:PSS com alta condutividade elétrica. Isso pode ser feito adicionando-se sorbitol à solução aquosa de PEDOT:PSS. Após um tratamento térmico, e dependendo da quantidade de sorbitol adicionado, a condutividade aumenta várias ordens de grandeza e as causas e consequências de tal comportamento foram investigadas neste trabalho. O Capítulo 5 investiga as várias propriedades tecnológicas do PEDOT:PSS altamente condutivo tratado com sorbitol, tais como a própria condutividade, os efeitos dos tratamentos térmicos e exposição à umidade. É observado que o aumento da condutividade elétrica, devido à adição de sorbitol na solução aquosa, é acompanhado por uma melhoria na estabilidade da condutividade elétrica em condições atmosféricas. Surpreendentemente, a condutividade elétrica do PEDOT:PSS, sem tratamento com sorbitol (~ 10-3 S/cm), aumenta mais de uma ordem de grandeza sob ambiente úmido de 30-35 % umidade relativa. Este efeito é atribuido a uma contribuição iônica à condutividade total. Análise Temogravimetrica (TGA), espectrometria de massa com sonda de inserção direta (DIP-MS) e análise calorimétrica diferencialmodulada (MDSC) foram usadas como técnicas adicionais para o entendimento dos estudos deste Capítulo. No Capítulo 6, microscopia de varredura por sonda-Kelvin (SKPM) foi empregada para medir o potencial de superfície dos filmes finos de PEDOT:PSS tratados com diferentes concentrações de sorbitol. Mostra-se que a mudança no potencial de superfície é consistente com uma redução de PSS na superfície do filme fino. Para estudar o transporte eletrônico nos filmes finos de PEDOT:PSS altamente condutivos tratados com sorbitol, o Capítulo 7 usa medidas de temperatura e campo elétrico em função da conduvitidade correlacionados com analises morfológicas realizadas por STM. É observado que o transporte eletrônico por saltos, na direção lateral, muda de 3D-VRH para 1D-VRH quando o PEDOT:PSS é tratado com sorbitol. Esta transição é explicada por uma auto-organização das ilhas ricas em PEDOT em agregados 1D, devido ao tratamento com sorbitol, tornando-se alinhadas em domínios micrométricos, como observado pelas imagens de STM. / Employing the unique mechanical, electronic, and optical properties of the conjugated organic and polymer materials several technological and commercial applications have been developed, such as sensors, memories, solar cells and light-emitting diodes (LEDs). In this respect, the central theme of this thesis is the electrical conductivity and mechanisms of charge transport in PEDOT:PSS, a polymer blend that consists of a conducting poly(3,4-ethylenedioxythiophene) polycation (PEDOT) and a poly(styrenesulfonate) polyanion (PSS). PEDOT:PSS is omnipresent as electrode material in plastic electronics applications mentioned above. Although the conductivity of PEDOT:PSS can vary by several orders of magnitude, depending on the method by which it is processed into a thin film, the reason for this behavior is essentially unknown. This thesis describes a detailed study of the anisotropic charge transport of PEDOT:PSS and its correlation with the morphology, the shape, and the dimension of the phase separation between the two components, PEDOT and PSS. Before addressing the properties of PEDOT:PSS, a new barrier layer is described in Chapter 2 that enhances the lifetime of organic devices. An important degradation mechanism in polymer LEDs is photo-oxidation of the active layer. Hence, isolating the active layer from water and oxygen is crucial to the lifetime. Plasma-enhanced chemical vapor deposition (PECVD) is used to deposit a thin layer of carbon nitride at low deposition temperatures, below 100 °C, on a polymer LED that uses poly[2-methoxy-5-(2´-ethylhexyloxy)-1,4- phenylene vinylene] (MEH-PPV) as active layer. A thin layer of carbon nitride acts as barrier for humidity, but is still sufficiently bendable to be used in flexible polymer LEDs. The characteristics of carbon nitride and MEH-PPV films have been investigated using optical spectroscopy, with particular emphasis on the degradation process of MEH-PPV under illumination. The measurements show that the carbon nitride coating indeed protects the polymer film and diminishes the photo-oxidation considerably. To study the effect of the encapsulation in real devices, polymer LEDs were made and their current-voltage characteristics confirm the enhanced lifetime in the presence of a carbon nitride barrier layer. However, the target, a lifetime of more than 10,000 hours for commercial applications, was not achieved. The remaining chapters of this thesis describe the investigations of PEDOT:PSS. PEDOT:PSS is widely used in organic electronics. So far, relatively little attention has, been paid to the mechanisms of charge transport in this material and the correlation of those properties to the morphology. In Chapter 3, scanning probe microscopy (SPM) and macroscopic conductivity measurements are used to obtain a full 3D morphological model that explains, qualitatively, the observed anisotropic conductivity of spin coated PEDOT:PSS thin films. Topographic scanning probe microscopy (STM) and cross-sectional atomic force microscopy images (X-AFM) reveal that the thin film is organized in horizontal layers of flattened PEDOT-rich particles that are separated by quasi-continuous PSS lamella. In the vertical direction, the horizontal PSS insulator lamellas lead to a reduced conductivity and impose nearest-neighbor hopping (nn-H) transport. In the lateral direction, 3D variable-range hopping (3D-VRH) transport takes place between PEDOT-rich clusters which are separated by much thinner barriers, leading to an enhanced conductivity in this direction. This discussion is extended in Chapter 4, where a quantitative description of the length scales of the predominant transport is obtained. Particularly, it is demonstrated that the hopping process takes place between PEDOT-rich islands and not between single PEDOT segments or dopants in the lateral direction, whilst in the vertical direction the current limiting hopping transport occurs between dilute states inside the quasi-insulating PSS lamellas. By a post-treatment it is possible to modify PEDOT:PSS to raise its conductivity, by orders of magnitude. Typically, the addition of sorbitol to the aqueous dispersion of PEDOT:PSS that is used to deposit thin films via spin coating leads to an enhancement of the conductivity after thermal annealing. The causes and consequences of such behavior were investigated in detail. Chapter 5 describes the various properties of the highly conductive sorbitol-treated PEDOT:PSS, such as the conductivity itself, and the effects of thermal annealing and exposure to moisture. It is found that the conductivity enhancement upon addition of sorbitol is accompanied by a better environmental stability. Surprisingly, the electrical conductivity of PEDOT:PSS thin films without sorbitol treatment is increased by more than one order of magnitude in an environment with more than 30-35 % relative humidity. This effect is attributed to an ionic contribution to the overall conductivity. Thermal gravimetric analysis (TGA), direct insert probe-mass spectrometry (DIP-MS) and modulation differential scanning calorimetry (MDSC) were used as additional tools to demonstrate that, after thermal treatment, the concentration of sorbitol in the final PEDOT:PSS layer is negligibly small. In Chapter 6, scanning Kelvin probe microscopy (SKPM) is employed to measure the surface potential and work function of this PEDOT:PSS films that were deposited from water with different sorbitol concentrations. It is shown that work function of PEDOT:PSS is reduced with increasing sorbitol concentration. This shift can be explained by and is in agreement with- a reduction in the surface enrichment with PSS of the film. To study the charge transport properties of the highly conductive sorbitoltreated PEDOT:PSS films, temperature dependent and electric field dependent measurements are correlated with morphological analysis by STM in Chapter 7. It is found that by sorbitol treatment the hopping transport changes from 3DVRH to 1D-VRH. This transition is explained by a sorbitol-induced selforganization of the PEDOT-rich grains into 1D aggregates that are aligned within micrometer sized domains, as observed in STM images.

Le domaine de nanocomposites polymères conducteurs a fait l’objet de nombreux travaux et recherches, vu que ces matériaux présentent un fort potentiel pour de nombreuses applications concernant différents secteurs. Toutefois, malgré les progrès et les résultats obtenus pour l’instant, les performances de ce type des matériaux restent insuffisantes pour certaines applications qui peuvent requérir l’association de diverses propriétés (électriques, thermiques, blindage électromagnétique…). Dans cette thèse, on détaille l’élaboration et la caractérisation de nanocomposites polymères conducteurs. Deux types de nanocharges conductrices (nanotubes de carbone (MWCNTs) et nanoparticules d’argent (Ag-NPs)) ont été dispersées soit dans un polymère thermoplastique (polyéthylène PE), soit dans une matrice thermodurcissable (résine époxy amine). Les nanocomposites polymères conducteurs obtenus ont présenté de bonnes propriétés électriques et thermiques ainsi qu’une bonne tenue mécanique favorisée par des taux de charges relativement faibles. La thèse a non seulement étudié des propriétés fondamentales d’un point de vue expérimental mais aussi plus théorique avec de la modélisation. Entre autres, on a pu analyser les mécanismes de conduction à très basses température dans ce type de composites. Les propriétés en termes de conductivité thermique se sont révélées cohérentes avec celles obtenues en conductivité électrique. Des propriétés de blindage électromagnétique de nos composites à base de PE ont été mis en évidence par résonance magnétique nucléaire (RMN). / Conductive polymer nanocomposites have been the object of intense researches and investigations recently. In fact, these materials have shown a great potential to be useful for many applications including different sectors. However, despite the promising results reported at the moment in this area, there is still a lack in the performance which can be improved by synchronization of their properties. In this PhD work, we present the preparation and full characterization of conductive polymer nanocomposites. Two kinds of conductive nanofillers (carbon nanotubes (MWCNTs) and silver nanoparticles (Ag-NPs)) have been dispersed either in a thermoplastic polymer (polyethylene PE), or in a thermoset matrix (epoxy amine). The conductive polymer nanocomposites obtained exhibit good electrical and/or thermal properties with conserving the mechanical properties ensured by low fillers fraction. The study was not only based on experimental characterizations but also on modulation to analyze the charge carrier transport at very low temperature in these systems to provide successful understanding to some basic properties which are still actually not fully investigated. Electrical properties are in good agreement with thermal properties. Electromagnetic shielding of our PE based nanocomposites have been studied by Nuclear Magnetic Resonance (NMR).

The repeated usage of frying oil is hazardous due to the degradation caused by chemical reactions, which happen while heating. The total polar compounds and the free fatty acids are the main two chemical parameters affected by frying. These parameters increase significantly with the use of oil for frying and are reported as reasons for causing serious illnesses like heart diseases. For this purpose, sensor systems for oil quality assessment are necessary. In fact, changes of the composition due to frying leads to variation of its dielectric parameters. This can be measured using a capacitive sensor and the measurement of its impedance change. The main challenge thereby is that the impedance changes are very small and stray capacitances have a big influence on the measurements. In this context, this work proposes a sensor system with high accuracy able to detect the small changes that occur in the resistance and capacitance under influence of stry capacitances. Theoretical and simulation studies are carried out for different cap acitive sensors as well as meas urement procedures of its cornp lex imp edance. The sensor should provide a high sensitivity to relative perrnittivity and the electrical conductiv ity, and at the same time a small size and a high reproducibility. Interdigital electrodes sensor with a suitable design fulfils all these requirements. A deep consideration of stray capacitances is needed to realize an accurate sensor system. For t hese reasons, the design of the measurement circuit is crucial within this work. We propose, a measurernent circuit based on a combinat ion of the method of capacitance to voltage conversion and the phase shift measurement method. By cornbining both rnethods together it is possible to rneasure accurate ly the complex irnpedance of edible oil. Experimental results show that measurement systern is capable to detect small changes of dielectric parameters, which are correlated to the chemical parameters. / Die mehrfach wiederholte Verwendung von Frittieröl ist aufgrund der Qualitätsver­ schlechterung, die während des Erhitzens auftreten durch chemische Reaktionen verursacht wird, gefährlich für die Gesundheit. Die totale polaren Kompon enten und die freien Fettsäuren sind die zwei wichtigsten chemischen Komponenten, die wesentlich durch das Braten beeinflusst werden. Diese Komponenten erhöhen sich signifikant mit der Wiederverwendung von Bratöl und verursachen u. a. ernste Herzkrankheiten. Diese Arbeit zielt darauf hin, ein mobiles, kostengünstiges, einfach zu verwenden­ des Sensorsystem für die Abschätzung der Ölqualität zu entwickeln. Das System charakterisiert die Veränderung der elektrischen Parameter des Öls durch Messung der Änderung seiner komplexen elektrischen Eigenschaft en. In dieser Arbeit wurde ein Sensorelement mit interdigitalen Elektroden entwickelt, der eine hohe Empfindlichkeit auf die relative Permittivität und die elektrischen Leitfähigkeit des Öls hat und dabei einer hohe Reproduzierbarkeit erzielen kann. Es wird ein Messverfahren vorgeschlagen, das auf der Wandlung in einer Spannung und einer Phasenverschiebung basiert. Sowohl durch theoretische Überlegungen als auch durch Simulationen konnte belegt werden, dass die Kombination beider Metho­ den eine akkurate Messung der Komplexem Imped anz hochdielektrischer Materia lien ermöglichen kann. Experiment elle Ergebnisse zeige n, dass das Messsystem in der Lage ist , kleine Änderungen der dielektrischen Parameter zu erfassen, die mit den chemischen Ölparamtern stark korrelieren.

In the application as conductor materials, metals such as copper or aluminum represent the state of the art. This applies for example to high-voltage lines, motor windings or the infrastructure in cities. However, metals, and especially copper, are expensive and heavy. Graphene-based conductor materials (GCMs) represent a cost-competitive and highly conductive alternative to metallic conductors. GCMs are mechanically flexible, lightweight and corrosion-resistant. But in order to fully exploit the potential of their electrical conductivity, a systematic material optimization is required. In this thesis, the electrical conductivity of GCMs is investigated in simulations and experiments. Using a simplified model of a GCM, the theoretical maximum value of the conductivity is derived mathematically. Furthermore, the dependence of the conductivity on microscopic material parameters is quantified. For a deeper insight, finite element simulations are used to study more realistic as well as defective geometries. The meaningful modeling of physical parameters as statistical distributions requires structures with tens of thousands of graphene flakes. To this end, an efficient network model is designed and implemented. The network model is further used to compare results with the literature, to consider surface contacts and to perform an exemplary material evaluation. From the simulation results, specific guidelines for the production of highly conductive GCMs are derived. In order to validate the simulations and to evaluate the potential of GCMs experimentally, a process chain for the preparation of graphene films is set up. Liquid graphene or graphene oxide dispersions are chosen as the starting materials, since large amounts of graphene can be processed in this way. The sizes of the graphene flakes are varied via centrifugation. Hydriodic acid is employed and evaluated as a reducing agent, as is thermal treatment. Scanning electron microscopy, Raman microscopy and an eddy current measurement of the conductivity are used for material characterization. Two studies on the dependence of the electrical conductivity on microscopic parameters are experimentally realized. The results show good agreement with the prediction by the network model and thus support the previously established theoretical description. / In der Anwendung als Leitermaterialien werden nach dem Stand der Technik Metalle wie Kupfer oder Aluminium eingesetzt. Dies betrifft beispielsweise Hochspannungsleitungen, Motorwicklungen oder die Infrastruktur in Städten. Insbesondere im Fall von Kupfer handelt es sich um ein teures und schweres Material. Graphen-basierte Leitermaterialien (GCMs, engl. graphene-based conductor materials) stellen eine potentiell günstige und hoch leitfähige Alternative dar, die metallische Leiter ersetzen kann. GCMs sind mechanisch flexibel, wesentlich leichter als Metalle und korrosionsbeständig. Um das Potential ihrer elektrischen Leitfähigkeit voll auszuschöpfen bedarf es jedoch einer gezielten Materialoptimierung. In der vorliegenden Arbeit wird die elektrische Leitfähigkeit von GCMs systematisch in Simulationen und Experimenten untersucht. Mit einem vereinfachten Modell eines GCMs wird der theoretische Maximalwert der Leitfähigkeit mathematisch hergeleitet. Weiterhin wird die Abhängigkeit der Leitfähigkeit von mikroskopischen Materialparametern quantifiziert. In Finite Elemente Simulationen werden realistischere sowie defektbehaftete Geometrien betrachtet und die Erkenntnisse aus dem analytischen Modell erweitert. Die sinnvolle Modellierung von physikalischen Eingangsgrößen als statistische Verteilungen erfordert Strukturen mit mehreren Zehntausend Graphenplättchen. Zu diesem Zweck wird ein effizientes Netzwerkmodell konzeptioniert und implementiert. Mit dem Modell werden darüberhinaus Ergebnisse mit der Literatur verglichen, Oberflächenkontakte betrachtet und eine beispielhafte Materialbewertung durchgeführt. Weiterhin werden konkrete Richtlinien zur Herstellung von hochleitfähigen GCMs abgeleitet. Um die Simulationen zu validieren und das Potential von GCMs experimentell zu bewerten, wird eine Prozesskette zur Herstellung von Graphenfilmen aufgebaut. Dabei werden flüssige Graphen- oder Graphenoxiddispersionen als Ausgangsmaterial gewählt, da in dieser Art große Mengen Graphen verarbeitet werden können. Mittels Zentrifugierung werden die Größen der Graphenplättchen variiert. Iodwasserstoffsäure wird als Reduktionsmittel eingesetzt und bewertet, ebenso wie eine thermische Materialbehandlung. Zur Materialcharakterisierung werden Rasterelektronenmikroskopie, Raman-Mikroskopie und eine Wirbelstrommessung der Leitfähigkeit eingesetzt. Zwei Studien zur Abhängigkeit der Leitfähigkeit von mikroskopischen Parametern werden experimentell realisiert. Die Ergebnisse zeigen gute Übereinstimmung zur Vorhersage durch das Netzwerkmodell und untermauern so die zuvor beschriebenen Wirkzusammenhänge.