Dans le contexte de la recherche sur l’amélioration des performances et la réduction des coûts des cellules solaires à base de silicium, nous nous sommes intéréssés dans cette thèse aux hétérojonctions entre le silicium amorphe hydrogéné (a-Si:H) et le silicium cristallin (c-Si). Nous avons étudié d’une part l’application de la technique de mesure du PhotoCourant Modulé (MPC) comme outil de caractérisation de l’interface a-Si:H/c-Si et que nous avons couplé à la technique de mesure de PhotoLuminescence Modulée (MPL) déjà largement utilisée pour étudier la qualité de passivation de l’interface. Nous avons alors caractérisé par ces deux techniques une série d'échantillons composées de (p)a-Si:H/(i)a-Si:H/(n)c-Si d'épaisseur de (i)a-Si:H allant de 2 à 50 nm. Une partie importante de cette étude a été réalisée par simulations numériques en 2D afin d’interpréter nos résultats expérimentaux. Une cohérence dans l'estimation de la densité d'état de défauts à l'interface a-Si:H/c-Si a été obtenue par les deux techniques. Nous avons conçu d’autre part un outil de couplage des simulations électriques et optiques pour le design de cellules à base de nanofils à hétérojonction. Grâce à cet outil nous avons réalisé une étude plus réaliste et plus complète qu'auparavant où ces deux simulations étaient effectuées de manière séparée. Nous montrons notamment comment les conditions sur les contacts électriques des nanofils affectent les performances de la cellule solaire. / In the context of the research on improving performances and reducing costs of silicon-based solar cells, we focused on heterojunctions between hydrogenated amorphous silicon (a-Si:H) and crystalline silicon (c-Si). On the one hand, we studied the application of the Modulated PhotoCurrent technique (MPC) as a tool for characterizing the a-Si:H/c-Si interface and which we coupled to the Modulated PhotoLuminescence technique (MPL) widely used to study the quality of interface passivation. We characterized by these two techiques a serie of samples composed of (p)a-Si:H/(i)a-Si:H/(n)c-Si with a thickness of (i)a-Si:H going from 2 to 50 nm. An important part of this study was made by 2D numerical simulations in order to interpret our experimental results. We showed that both techniques give the same estimation of the density of interface defects between (i)a-Si:H and (n)c-Si. On the other hand, we developped a tool for coupling electrical and optical simulations for the design of nanowire-based solar cells with a radial heterojunction. Formerly, these simulations were most of the time performed separately and therefore were not allowing for a complete study of these kind of structures. We then made a study showing how the conditions of electrical contacts of nanowires affect the performances of these solar cells.

<div>This dissertation details three studies which utilize nontraditional applications of electrospray ionization mass spectrometry. The first study explores and discusses the limitations of identifying unknown drug metabolites using ion-molecule reactions performed inside a mass spectrometer and coupled with high performance liquid chromatography. Ultimately, it was concluded that some highly-efficient, MS² ion-molecule reactions coupled with some drug metabolites would be sufficiently sensitive for <i>in vivo</i> drug metabolism studies. However, this study also concluded that the rate of false-positives and false-negatives may be higher than previous publications suggest.</div><div><br></div><div>The next study analyzed sulfur-containing compounds under atypical negative mode electrospray ionization mass spectrometry conditions. After noting that low analyte flow rates during electrospray ionization experiments on ethanethiol resulted in significant oxygen incorporation, the aim of this study was to understand the chemistry behind the oxygen incorporation and search for ways to experimentally limit the degree of oxygen inclusion. The atypical conditions were ultimately shown to induce significant ozonolysis and other oxidation reactions. Ultimately, only the use of high flow rates or switching to a different ionization technique were successful in mitigating the oxidation product formation. A new reaction mechanism for the oxidation of ethanethiol with ozone was proposed. Quantum chemical calculations were used to support the mechanism.</div><div><br></div><div>Finally, electrospray ionization mass spectrometry was used to analyze mixtures of selenium and/or tellurium in amine-thiol solvent systems. Selenium and tellurium are essential components in many thin film solar cells and other photovoltaics and amine-thiol solvent systems have been identified as a key solution processing strategy for synthesizing selenium and tellurium thin films. However, the reaction between selenium/tellurium and the amine-thiol solvent system is poorly understood and requires detailed study before large-scale industrial synthesis can be achieved. In this study, the dissolution mechanisms for selenium and tellurium in two different amine-thiol solvent systems were explored and discussed. The role of the basicity of the amine, the relative concentrations of the thiol, and the presence of co-dissolved chalcogens were all studied and used to propose dissolution mechanisms. The results of the experiments were used to control the synthesis of lead-selenium-tellurium alloy nanoparticles and could inform further studies on controlling metal chalcogenide synthesis through the appropriate choice of amine-thiol solvents.<br></div>

The increased usage of solar panels worldwide highlights the importance of being able to detect faults in systems that use these panels. In this project, the historical power output (kWh) from solar panels combined with meteorological data was used to train a machine learning model to predict the expected power output of a given solar panel system. Using the expected power output, a comparison was made between the expected and the actual power output to analyze if the system was exposed to a fault. The result was that when applying the explained method an expected output could be created which closely resembled the actual output of a given solar panel system with some over- and undershooting. Consequentially, when simulating a fault (50% decrease of the power output), it was possible for the system to detect all faults if analyzed over a two-week period. These results show that it is possible to model the predicted output of a solar panel system with a machine learning model (using meteorological data) and use it to evaluate if the system is producing as much power as it should be. Improvements can be made to the system where adding additional meteorological data, increasing the precision of the meteorological data and training the machine learning model on more data are some of the options. / Med en ökande användning av solpaneler runt om i världen ökar även betydelsen av att kunna upptäcka driftstörningar i panelerna. Genom att utnyttja den historiska uteffekten (kWh) från solpaneler samt meteorologisk data används maskininlärningsmodeller för att förutspå den förväntade uteffekten för ett givet solpanelssystem. Den förväntade uteffekten används sedan i en jämförelse med den faktiska uteffekten för att upptäcka om en driftstörning har uppstått i systemet. Resultatet av att använda den här metoden är att en förväntad uteffekt som efterliknar den faktiska uteffekten modelleras. Följaktligen, när ett fel simuleras (50% minskning av uteffekt), så är det möjligt för systemet att hitta alla introducerade fel vid analys över ett tidsspann på två veckor. Dessa resultat visar att det är möjligt att modellera en förväntad uteffekt av ett solpanelssystem med en maskininlärningsmodell och att använda den för att utvärdera om systemet producerar så mycket uteffekt som det bör göra. Systemet kan förbättras på några vis där tilläggandet av fler meteorologiska parametrar, öka precision av den meteorologiska datan och träna maskininlärningsmodellen på mer data är några möjligheter.

Organische Solarzellen besitzen das Potential für leichte und zugleich flexible photovoltaische Anwendungen, die kostengünstig hergestellt werden können und damit einen Beitrag zur Verminderung der Emission von Kohlendioxid, Methan und Stickoxiden leisten können. Zur Herstellung von organischen Solarzellen werden nur geringe Mengen der organischen Materialien benötigt und die Prozessierung findet bei vergleichsweise geringen Temperaturen statt, was die Abscheidung auf z. B. Plastikfolie ermöglicht. Man unterscheidet drei Arten von organischen Solarzellen. Erstens, Solarzellen bestehend aus kleinen Molekülen, die im Vakuum durch Sublimation auf das Substrat abgeschieden werden. Zweitens, Polymersolarzellen, deren Schichten aus Lösung meist durch „spin-coating“ oder Druckverfahren präpariert werden. Und drittens, „dye-sensitized“ Solarzellen (auch Grätzel-Zellen), die aus einer porösen Schicht Titandioxid und einem flüssigen Elektrolyten für den Ladungsträgertransport bestehen. Diese Arbeit beschäftigt sich ausschließlich mit organischen Solarzellen aus kleinen Molekülen. Die höchsten erreichten Wirkungsgrade organischer Solarzellen aus kleinen Molekülen liegen derzeit bei etwa 5 % . Um die Effizienzen von Solarzellen aus kleinen Molekülen zu steigern, ist es einerseits notwendig das Verständnis der physikalischen und chemischen Prozesse innerhalb der Bauelemente genauer beschreiben zu können, andererseits werden neue Materialien mit optimierten Eigenschaften für die organische Photovoltaik benötigt. In dieser Arbeit wurden zwei Strategien zur Optimierung organischer Solarzellen verfolgt: • Durch die Optimierung des Versatzes der Energieniveaus der organischen Materialien konnte die Leerlaufspannung in einem Modellsystem maximiert werden. An diesem Modellsystem wurden der Ursprung der Leerlaufspannung und die Rekombinationsdynamik von photogenerierten Ladungsträgern untersucht. Bezüglich der Leerlaufspannung zeigen Solarzellen, deren photoaktive Materialien in einer Mischschicht vorliegen, im Vergleich zu Solarzellen, die eine photoaktive Doppelschicht beinhalten, fundamentale Unterschiede . • Des Weiteren wurden neue Thiophenderivate untersucht, die als aktive Materialien in organischen Solarzellen eingesetzt wurden. Durch elektronenziehende Endgruppen wurde das Ionisationspotential der Thiophenderivate abgesenkt und die optische Bandlücke verringert. Das Thiophenderivat DCV3T fungiert in Kombination mit herkömmlichen Donator-Materialien als Akzeptor. In Mischschichten aus DCV3T und C60 kommt es durch einen Hin- und Rücktransfer der Anregungsenergie zwischen den Materialien statt der Generation von freien Ladungsträgern zu einer Erhöhung der Triplett-Exzitonendichte auf DCV3T . Diese Exzitonen besitzen auf Grund der hohen Lebensdauer von Triplett-Exzitonen das Potential für eine erhöhte Exzitonendiffusionslänge, die in einem neuen Solarzellenkonzept ausgenutzt werden konnte . / Organic solar cells have the potential for light weight and flexible applications. They can be manufactured cost-effectively and can thus contribute to the reduction of the emission of carbon dioxide, methane and nitric oxides. In order to manufacture organic solar cells, only small amounts of organic materials are required. They can be processed at comparably low temperatures. Therefore, the fabrication on substrates like plastic foil is possible. Three different types of organic solar cells exist. The first kinds are solar cells prepared from small molecules that are manufactured via sublimation of the material in a vacuum. The second kind are polymer solar cells manufactured from solution by spin coating techniques or ink jet printing. And thirdly, dye sensitized solar cells - also known as Grätzel cells - consisting of a porous layer of titanium dioxide and most commonly a liquid electrolyte for the charge transport. This work deals exclusively with small molecule solar cells. The highest power conversion efficiencies reached by small molecule organic photovoltaics are now in the range of 5 %. In order to increase the efficiencies of solar cells prepared from small molecules, two major aspects must be developed. The understanding of the physical processes within the organic devices must be improved. And secondly, new materials are required with physical properties optimized for organic photovoltaics. In this work, I followed two strategies for optimizing organic solar cells: • By optimizing the offset of energy levels between donor and acceptor material, the open circuit voltage could be increased. In the investigated model system, the origin of the open circuit voltage and the recombination dynamics of photo generated charge carriers were analyzed. Concerning the open circuit voltage, solar cells consisting of a donor acceptor double layer structure, show fundamental differences to solar cells consisting of a donor acceptor blend. • Furthermore, new thiophene derivatives used as photoactive materials were investigated. By the attachment of electron withdrawing end groups, the ionization potential of the oligothiophenes is increased and the optical band gap is reduced at the same time. The investigated thiophene derivative DCV3T acts as an acceptor in combination with the commonly used donor-materials. A back- and forth-transfer of excitation energy is observed in blends of DCV3T and fullerene C60. In these blends, excitons are not separated into free charge carriers. This back and forth transfer leads to an enhancement of the density of triplet excitons on DCV3T. These excitons have a potentially high diffusion length due to the long lifetime of triplet excitons. This effect was utilized in the organic solar cells.

This paper deals with the usage of photovoltaics in positive energy buildings. The European Union published in 2010 a directive about the energy performance of buildings in which article 9 states that all member States shall ensure that by the end of 2020 all new buildings should be “nearly zero-energy” buildings (by the end of 2018 for public buildings). This kind of nearly zero-energy buildings is starting to develop in France under the name “BEPOS” (which stands for POSitive Energy Building, in French), and this is the name that will be used in this document. 288 projects have been certified “BEPOS” as of 2012, according to the ADEME which published a map of all the BEPOS buildings in France (the ADEME is a French agency for the environment and the energy utilization, which is a major actor in the French energy policy, often deciding where to allocate funds). To be a BEPOS, these buildings need to produce electricity on site and photovoltaics are often considered as one of the most mature and competitive technology to do so, also the most used. The purpose of this study is to demonstrate that photovoltaics are an economically viable means to reach the BEPOS quality label, and to provide data to quantify the cost and performance of a photovoltaic system. To achieve that, the technological and market conditions of photovoltaics in France are reviewed, and techno-economic calculations are made using data provided by solar and construction companies.

Solar energy is one type of the most commonly used renewable energy sources. It can produce electricity and heat without creating any Greenhouse Gases (GHG). Sweden has set up the goal of 100% electricity generated by the renewable energy source by 2040 and chosen Gotland as a pioneer project for self-electricity supply by renewable energy sources by 2030. Taking the year 2017 as an example, the total electricity production of Gotland in 2017 was about 1080 GWh, a share of 621GWh imported from mainland Sweden, 457GWh produced by Gotland's local wind energy, 1.6GWh produced by local photovoltaic energy and a very small fraction produced by local hydropower. Gotland has a high potential for photovoltaic power. This quantitative research case study used data to collect and a building model to measure the potential electricity production by photovoltaic power at three locations in Visby, Höken, Castor and Skalbaggen. Further, an analysis of the current value of installing photovoltaic panels for a public housing company to increase the capacity of renewable energy to stimulate the target towards 100% electricity from renewable energy sources by 2040. The result indicated that the ratio of production/Consumption at Höken, Castor and Skalbaggen were 73%, 52% and 1000%. According to the calculation, the LCOE of Höken is around about 0.74 to 1.17 SEK/kWh. For Castor, it is from 0.73 to 1.16 SEK/ kWh due to the range of interest rates. For Skalbaggen, it is around 0.70 to 1.11 SEK/ kWh. However, since the current limitation from both technical and legislative sectors were not allowed to transfer electricity between the adjacent building. Further research is required on how to facilitate tenants' use of renewable electricity produced by public housing itself, as well as how to maximize the penetration of smart grids.

Atomically thin 2D layered semiconductor materials such as Transition Metal Di-Chalcogenides (TMDCs) have great potential for use as flexible, ultra-thin photovoltaic materials in solar cells due to their favorable photon absorption and electronic transport properties. In this dissertation, the electronic properties, such as band structure and bandgap, and optical absorption properties of a TMDC known as Tungsten Disulfide (WS2) were obtained from Density Functional Theory (DFT) calculations to design conventional and unconventional solar cells. Using these properties, a 1 μm thick heterojunction solar cell based on monolayer and bulk WS2 together with amorphous silicon (a-Si) was modeled using numerical calculations and simulations. The maximum efficiency of this cell is 23.3% with Voc = 0.84 V and Jsc = 33.5 mA/cm2 under the AM1.5G terrestrial solar spectrum. Next, a similar but even thinner solar cell with a thickness of 200 nm, together with a light trapping structure and an anti-reflection coating layer, was modeled under the AM0 space solar spectrum; similar device performance efficiencies around 21-23% were obtained. The performance of these solar cell models is comparable to many commercial cells in both terrestrial and space photovoltaics. As conventional photovoltaics approach the Shockley-Queisser limit, the need for unconventional materials and approaches has become more apparent. Hybrid alloys of TMDCs exhibit tunable direct bandgaps and significant dipole moments. Dark state protection induced by dipole-dipole interactions forms new bright and dark states in the conduction band that reduce radiative recombination and enhance photon-to-electron conversion, leading to significantly higher photocurrents. In our work, current enhancement of up to 35% has been demonstrated by modeling dark state protection in a solar cell composed of Tungsten Diselenide (WSe2) and Tungsten Sulfo-Selenide (WSeS), with the potential to exceed the Shockley-Queisser limit under ideal conditions.

Cette thèse est dédiée à l’étude de la texturation de surface du silicium cristallin (c-Si) à l’échelle nanométrique (nanotexturation) par un procédé de gravure ionique réactive en chimie SF6/O2 et en réacteur plasma à couplage capacitif à excitation radiofréquence. Ce travail a pour objectif générique l’optimisation du procédé de nanotexturation de surface en vue d’une intégration pour le traitement de la face avant de l’absorbeur de cellules photovoltaïques c-Si. A cette fin, une étude des interactions plasma-surface est menée dans le cas d’une excitation plasma par tension simple fréquence, ou par tension multifréquence générant des asymétries électriques dans le plasma (méthode des « forme d’ondes sur mesure », abrégé TVW, de l’anglais "Tailored Voltage Waveforms").L’étude se porte premièrement sur les différents mécanismes de chauffage électronique dans le plasma. Les modes de chauffage électronique dominants sont déterminés pour un plasma SF6/O2 à faible pression grâce à l’utilisation de l’excitation TVW. En contrepartie, ce mode d’excitation permet de générer des asymétries électriques variables dans le plasma, affectant ainsi le flux et l’énergie de bombardement ioniques sur l’électrode porte-substrats. Dans les conditions étudiées, l’excitation TVW permet d’élargir la gamme de conditions disponible pour la gravure (en termes de flux et d’énergie de bombardement ioniques) par rapport à une excitation simple fréquence.Deuxièmement, les interactions plasma-surface lors de la gravure du c-Si en chimie SF6/O2 sont étudiées. Une fenêtre process permettant d’obtenir une nanotexturation efficace de la surface de c-Si – à température ambiante – est identifiée. Il est ainsi possible de diminuer drastiquement la réflexion de la lumière en surface du c-Si (dans la gamme de longueurs d’ondes [250,1000nm]) : du « silicium noir » est obtenu. Les conditions de nanotexturation (flux et énergie des d’ions) sont variées expérimentalement grâce à l’excitation TVW. Un modèle phénoménologique de gravure est proposé : le rendement de gravure augmente en fonction avec l’énergie des ions, au-dessus d’un seuil de gravure d’environ 13eV. Grâce à ce modèle, il est démontré que la hauteur moyenne des nanostructures formées est directement (positivement) liée à la fluence ionique, pondérée par l’énergie de bombardement.Les propriétés optiques des surfaces nanotexturées sont ensuite étudiées. Lorsque la largeur des nanostructures est petite devant la longueur d’onde de la lumière (dans le c-Si), la surface nanotexturée agit comme une couche antireflet à gradient d’indice de réfraction : un lien direct entre la hauteur des nanostructures et la réflectance totale de la surface est déterminé. Une très faible réflectance (de l’ordre de 2% en incidence normale) dans une large gamme spectrale (approximativement [250,1000nm]) est atteinte. De plus, une forte diffusion de la lumière est engendrée lorsque la largeur des nanostructures dépasse un seuil déterminé expérimentalement. En conséquence, la lumière est plus efficacement piégée dans le c-Si, améliorant l’absorption dans la gamme [1000,1200nm].Les propriétés optiques des surfaces nanotexturées sont intéressantes pour améliorer la photogénération de charges électriques dans les cellules photovoltaïques c-Si. Cependant, les dommages induits en surface du c-Si par bombardement ionique (lors de la nanotexturation plasma) sont responsables d’une augmentation de la recombinaison des charges électriques en surface. Cet effet est atténué par l’application d’une faible énergie de bombardement ionique. Des conditions optimales de nanotexturation du c-Si par plasma SF6/O2 peuvent être obtenues par la maximisation du flux d’ions, en maintenant l’énergie de bombardement faible. Ces spécifications se révèlent antagonistes dans le cas d’une décharge plasma à couplage capacitif à excitation simple fréquence, mais le conflit peut être (en partie) levé par l’utilisation de l'excitation TVW. / This thesis is dedicated to the study of crystalline silicon (c-Si) surface texturing at the nanoscale (nanotexturing) using capacitively coupled plasma reactive ion etching (CCP-RIE). The general objective consists in tuning the nanotextured surface properties to improve light-management in c-Si solar cells through front surface texturing. To this aim, plasma-surface interactions during etching in a SF6/O2 discharge are investigated using both single-frequency excitation and Tailored Voltage Waveforms (TVWs), i.e. a multifrequency approach triggering electrical asymmetries in the plasma.To gain a full picture of the achievable processing range, the electron heating mechanisms and ion bombardment energy on the surface are first studied. An identification of the dominant electron heating mechanisms in low pressure SF6/O2 plasma is demonstrated using TVWs as an innovative probing tool. Different electrical asymmetry effects are shown to arise depending on the dominant heating mode, which therefore affects both the ion flux and bombardment energy on the etched surface. Although a complete decoupling between ion energy and flux cannot be achieved in the investigated discharge conditions, TVWs do lead to an extended playground for SF6/O2 plasma etching of c-Si surfaces in CCP-RIE.The plasma-surface interaction mechanisms during SF6/O2 plasma etching and texturing of c-Si surfaces are then investigated. A processing window to achieve nanotextured anti-reflective c-Si surfaces (“black silicon”) at room temperature is delimited. Building on the work from the first section, the ion flux and bombardment energy on the c-Si surface are varied independently in this process window. A phenomenological model (etching yield varying with the square root of the ion energy above a threshold around 13 eV) is proposed. From this model, a direct (positive) link between the energy weighted ion fluence and the nanostructure height is identified. Importantly, the final nanostructure average width is shown to also weakly depend on the instantaneous ion flux during the process.Subsequently, anti-reflection and light scattering properties of plasma nanotextured c-Si surfaces are studied. Regarding anti-reflection, when the nanostructure average width is small compared to the wavelength (in c-Si), the nanotextured surface acts as an anti-reflective graded refractive index layer and a direct link between the nanostructure average height and the reflectance can be derived. Very low reflectance (in the order of 2% at normal incidence) on a broad wavelength range (approximately [250, 1000nm]) can be achieved, and the improved anti-reflective properties extend to high angles of incidence. Additionally, strong light scattering is shown to arise when the nanostructure average width overcomes a given threshold determined experimentally. Consequently, light is more efficiently trapped in the c-Si substrate, leading to superior absorption in the range [1000, 1200nm].The aforementioned optical properties of nanotextured c-Si surfaces are of practical interest for improved light management in c-Si photovoltaic devices. However, plasma induced damages (during plasma nanotexturing), as well as enlarged surface area, are responsible for increased carrier recombination. The contribution to recombination from plasma induced defects is shown to be mitigated when ion bombardment energy is kept low. Design rules are consequently proposed: optimized conditions for c-Si nanotexturing in SF6/O2 plasma can be achieved by maximizing the ion flux while keeping ion energy low (but above the etching threshold). These requirements are conflicting in the case of a single frequency CCP discharge, but the trade-off may be (at least partly) resolved using TVWs.

The main task of the master project is to design a new energy efficient municipal house in Drnholec. The building has two above-ground floors and partial basement. It has a two-part flat roof. One part is green, the other has the bituminous roofing. The basement contains storage spaces and a boiler room. The ground floor contains an entrance hall, toilets, restaurant, a kitchen with storage and a hall with elevated stage. The first floor contains two club rooms, toilets and a room for the air conditioning system. The vertical load-bearing structures are designed from ceramic walls. Internal walls are designed from ceramic blocks. The horizontal load-bearing structures are designed from the pre-stressed Spiroll panels. The building envelope is insulated with mineral wool. The second part of the master project focuses on designing HVAC, lighting and sewage (including stormwater storage basin). The building utilizes an automatic biomass boiler as the main heating energy source. The summer domestic water heating is supported by photovoltaics. The third part of the master project assesses and compares heating of water by photovoltaics and solar thermal collectors. The project was carried out in the AutoCAD, DEKSOFT, Excel and Word.

No description available.