This master thesis presents a theoretical investigation of the energy and stability of interfaces in iron-carbide compounds, specifically focusing on the α-Fe/Cr7C3 system. The study aims to fill the gap in knowledge regarding the surface energetics of these interfaces using Density Functional Theory (DFT). Six different α-Fe/Cr7C3 interfaceswere constructed α-Fe(001)/Cr7C3(024), α-Fe(001)/Cr7C3(202), α-Fe(001)/Cr7C3(040),α-Fe(110)/Cr7C3(024), α-Fe(110)/Cr7C3(202) and α-Fe(110)/Cr7C3(040). Due to limited computational resources, only one of them was computationally analyzed to determine its interfacial energy value. The results revealed that the interfacial energy of the α-Fe(001)/Cr7C3(040) interface falls within the range of incoherent interfaces, indicating its stability. The computed interfacial energy values ranged from 0.94 to 3.39 J/m2, consistent with similar studies on other iron interfaces. The simulations also identified minimum and local minimum points in the interface energy curve, representing stable configurations at specific interface separation distances. The presence of a minimum point at an interface separation value of d = 1.3551 Å with an interfacial energy of 0.94 J/m2 indicates the most stable configuration, while a local minimum point at d = 2.27 Å with an interfacial energy of 2.12 J/m2 suggests another stable configuration for the interface. The conclusion that the computations were correctly performed with an interfacial energy value of 0.94 J/m2 for the most stable configuration at a supercell length (aSupercell ) of 22.23 Å is drawn. The findings of this research have significant implications for future investigations and applications. Firstly, this study fills the gap of the unresearched ferrite-carbide interfaces with theoretical data. Secondly, the knowledge gained from studying these interfaces contributes to understanding hydrogen interactions, which is fundamental for the transition towards a hydrogen economy. Additionally, the incoherent nature of the interface introduces challenges in understanding material behavior and properties, necessitating further investigations for designing efficient systems. Future work includes experimental validation of the α-Fe/Cr7C3 interface to compare the theoretical and experimental energies and stability. Investigating the remaining interfaces and examining the effects of introducing hydrogen atoms in these interfaces, along with calculating the corresponding hydrogen trapping energies, are important research areas. Further advancements in understanding these interfaces can be achieved through interface engineering, multiscale modeling, and studying other iron-carbide systems. / Detta examensarbete presenterar en teoretisk undersökning av energin och stabiliteten hos gränssnitt i järnkarbidföreningar och fokuserar specifikt på α-Fe/Cr7C3-systemet. Studien syftar till att fylla kunskaps tomrummet gällande ytegenskaperna hos dessa gränssnitt genom användning av densitetsfunktionalteori (DFT). Sex olika α-Fe/Cr7C3-gränssnitt konstruerades α-Fe(001)/Cr7C3(024), α-Fe(001)/Cr7C3(202), α-Fe(001)/Cr7C3(040), α-Fe(110)/Cr7C3(024), α-Fe(110)/Cr7C3(202) och α-Fe(110)/Cr7C3(040). På grund av begränsade beräkningsresurser analyserades endast ett av dem för att bestämma dess gränssnittsenergivärde. Resultaten visade att gränssnittsenergin för α-Fe(001)/Cr7C3(040)- gränssnittet ligger inom intervallet för inkoherenta gränssnitt, vilket indikerar dess stabilitet. De beräknade gränssnittsenergivärdena varierade mellan 0,94 och 3,39 J/m2 , vilket är i linje med liknande studier där järngränssnitt studeras. Minimi och lokala minimipunkter i gränssnittets energikurva, vilket representerar stabila konfigurationer vid specifika avstånd mellan gränssnittet. Förekomsten av en minimipunkt vid ett gränssnittsavstånd på d = 1,35 Å med en gränssnittsenergi på 0,94 J/m2 indikerar den mest stabila konfigurationen, medan en lokal minimipunkt vid d = 2,27 Å med en gränssnittsenergi på 2,12 J/m2 antyder en annan stabil konfiguration för gränssnittet. Slutsatsen dras att beräkningarna utfördes korrekt med ett gränssnittsenergivärde på 0,94 J/m2 för den mest stabila konfigurationen vid en supercellslängd (aSupercell) på 22,23 Å. Fynden från denna forskning har betydande implikationer för framtida undersökningar och tillämpningar. För det första fyller denna studie kunskapsgapet gällande de otillräckligt utforskade ferrit-karbidgränssnitten med teoretisk data. För det andra bidrar den erhållna kunskapen från studiet av dessa gränssnitt till förståelsen av väteinteraktioner, vilket är grundläggande för övergången till en väteekonomi. Dessutom innebär gränssnittets inkoherenta natur utmaningar när det gäller att förstå materialbeteende och egenskaper, vilket kräver ytterligare undersökningar för att utforma effektiva system. Framtida arbete inkluderar experimentell validering av gränssnittet mellan α-Fe/Cr7C3 för att jämföra teoretiska och experimentella energier och stabilitet. Att undersöka återstående gränssnitt och undersöka effekterna av att introducera väteatomer i dessa gränssnitt och beräkna motsvarande vätefällningsenergier är viktiga forskningsområden. Gränssnittsdesign, flerskalig modellering och studier av andra järnkarbid-system kan ytterligare främja förståelsen av dessa gränssnitt.

In this study, four frequently used yield curve construction methods are evaulated on a set of metrics with the aim of determining which method is the most suitable for estimating yield curves from European zero rates. The included curve construction methods are Nelson-Siegel, Nelson-Siegel-Svensson, cubic spline interpolation and forward monotone convex spline interpolation. We let the methods construct yield curves on multiple sets of zero yields with different origins. It is found that while the interpolation methods show greater ability to adapt to variable market conditions as well as hedge arbitrary fixed income claims, they are outperformed by the parametric methods regarding the smoothness of the resulting yield curve as well as their sensitivity to noise and perturbations in the input rates. This apart from the Nelson-Siegel method's problem of capturing the behavior of underlying rates with a high curvature. The Nelson-Siegel-Svensson method did also exhibit instability issues when exposed to perturbations in the input rates. The Nelson-Siegel method and the forward monotone convex spline interpolation method emerge as most favorable in their respective categories. The ultimate selection between the two methods must however take the application at hand into consideration due to their fundamentally different characteristics. / I denna studie utvärderas fyra välanvända metode för att konstruera yieldkurvor på ett antal punkter. Detta med syfte att utröna vilken metod som är bäst lämpad för att estimera yieldkurvor på Europeiska nollkupongräntor. Metoderna som utvärderas är Nelson-Siegel, Nelson-Siegel-Svensson, cubic spline-interpolering samt forward monotone convex spline-interpolering. Vi låter metoderna estimera yieldkurvor på flera sammansättningar nollkupongräntor med olika ursprung. Vi ser att interpoleringsmetoderna uppvisar en större flexibilitet vad gäller att anpassa sig till förändrade marknadsförutsättningar samt att replikera godtyckliga ränteportföljer. När det gäller jämnhet av yieldkurvan och känsligheten för brus och störningar i de marknadsräntor som kurvan konstrueras utifrån så presterar de parametiska metoderna däremot avsevärt bättre. Detta bortsett från att Nelson-Siegel-metoden hade problem att fånga beteendet hos nollkupongräntor med hög kurvatur. Vidare hade Nelson-Siegel-Svensson-metoden problem med instabilitet när de underliggande marknadsrentorna utsattes för störningar. Nelson-Siegen-metoden samt foward monotone convex spline-interpolering visade sig vara bäst lämpade för att konstruera yieldkurvor på de Europeiska marknaderna av de utvärderade metoderna. Vilken metod av de två som slutligen bör användas behöver bedömas från fall till fall grundat i vilken tillämpning som avses.

Introduction : Le cancer de l’ovaire est le cancer gynécologique le plus fatal dans le monde et est associé à un fardeau économique considérable pour les systèmes de santé publique, les patients et leurs familles. Actuellement, la prévention de ce cancer passe par l’identification des facteurs de risque, dont l’inflammation. Le double rôle de l’inflammation dans la carcinogenèse (transformation néoplasique et stimulation de la croissance pour l’inflammation chronique, mais également l’inhibition de la croissance pour inflammation aiguë) a déjà été observé au 19ième siècle, par Rudolf Virchow et par l’allemand Bruns, respectivement. Plusieurs preuves suggèrent aussi que le cancer de l’ovaire pourrait être lié à l’inflammation chronique de l’épithélium ovarien d’où l’hypothèse selon laquelle les analgésiques ayant une action anti-inflammatoire comme les anti-inflammatoires non stéroïdiens (AINS) et l’acétaminophène pourraient prévenir le cancer de l’ovaire. Contrairement à l’inflammation chronique, un autre facteur intéressant qui pourrait jouer un rôle sur le cancer de l’ovaire par le biais d’une inflammation aiguë est la mastite puerpérale qui est la forme la plus courante de mastite. Cependant, la littérature existante, examinant l’usage des analgésiques (aspirine, AINS non aspirine et acétaminophène) et le risque de cancer ovarien, est incohérente avec des différences populationnelles (cohortes de naissance différentes) et méthodologiques : variations des définitions de l’utilisation régulière, des variables d’ajustement, mais aussi dans la prise en compte d’une possible causalité inverse. De plus, aucune étude n’a tenté d’évaluer l’association dépendante du temps entre l’utilisation régulière de ces médicaments et le risque de cancer ovarien. Pour la mastite puerpérale pendant l’allaitement, deux articles avaient évalué son association avec le risque de cancer épithélial de l’ovaire (CEO), mais avec des limites méthodologiques : violation de la positivité avec l’inclusion des femmes qui n’ont jamais eu de grossesse et sur-ajustement avec la durée d’allaitement qui est dans le chemin causal. Objectif : Cette thèse visait à atteindre deux objectifs généraux qui sont de fournir de nouvelles preuves concernant les associations entre : 1) l’utilisation régulière d’analgésiques et le risque de CEO ; 2) la mastite puerpérale et le risque de CEO. Méthode : Nous avons utilisé les données d’une étude cas-témoin populationnelle visant à documenter les facteurs pour la prévention du cancer de l’ovaire au Québec (Étude PROVAQ). Cette étude a été menée dans la grande région de Montréal, Canada, de mars 2011 à septembre 2016 avec 498 cas et 908 témoins. Notre approche méthodologique a été effectuée en trois étapes. Premièrement, nous avons utilisé l’ensemble des données de PROVAQ pour l’évaluation des associations entre l’utilisation régulière de types de médicaments analgésiques, et aussi selon l’indication et le risque de CEO. Deuxièmement, à partir des données de PROVAQ, nous avons évalué l’association dépendante du temps entre l’utilisation régulière d’un type de médicaments et le risque de CEO à l'aide d'un indice cumulatif pondéré flexible d'exposition dans des modèles de régression logistique conditionnelle. Enfin, nous avons évalué l’association entre la mastite puerpérale et le risque de CEO chez les femmes allaitantes (174 cas et 431 témoins). La régression logistique a été utilisée pour estimer ces associations. Résultats : Nos résultats suggèrent que l'utilisation régulière d’aspirine et d'AINS non aspirine était inversement associée au CEO avec des rapports de cotes (RC) ajustés de 0,81 (IC à 95 % : 0,57–1,12) et 0,74 (IC à 95 % : 0,54–1,00), respectivement. Pour l'utilisation régulière d'AINS non aspirine, les RCs ajustés des COX-2 non sélective et sélective étaient de 0,73 (IC à 95 % : 0,50–1,00) et de 0,83 (IC à 95 % : 0,48–1,40), respectivement. Des associations similaires ont été observées selon le niveau de durée cumulative à vie ou de quantité cumulative à vie de prises d’aspirine et d’AINS non aspirine. Cependant, les associations entre les types de médicaments analgésiques et le CEO peuvent différer selon leurs indications. Aucune association n’a été trouvée entre le moment de l'utilisation régulière d’un type de médicaments analgésiques au cours des 40 années précédant la date index et le CEO. Aucune association significative n’a été aussi trouvée entre la mastite puerpérale pendant l'allaitement et le CEO (RC = 1,15 ; IC à 95 % : 0,71–1,84). Conclusions : Cette thèse fournit des preuves qui appuient l'hypothèse selon laquelle l'utilisation régulière d'aspirine et d'AINS non aspirine sont inversement associées au CEO. Nos résultats suggèrent également l'importance de considérer les indications d'utilisation lors de l'examen des relations entre les types de médicaments analgésiques et le CEO. Elle n’a pas trouvé d'association entre le moment de l'utilisation régulière d’analgésiques et le CEO mais aussi entre la mastite puerpérale pendant l’allaitement et le CEO. Cependant, notre étude a manqué de puissance. / Introduction: Ovarian cancer is the most fatal gynecological cancer in the world and is associated with a considerable economic burden for public health systems, patients and their families. Currently, the prevention of this cancer requires the identification of risk factors including inflammation. The dual role of inflammation in carcinogenesis (neoplastic transformation and stimulation of cancer growth for chronic inflammation, but also inhibition of cancer growth for acute inflammation) has already been observed in the 19th century, by Rudolf Virchow and by the German Bruns, respectively. Several pieces of evidence also suggest that ovarian cancer could be linked to chronic inflammation of the ovarian epithelium, hence the hypothesis that analgesics with an anti-inflammatory action such as nonsteroidal anti-inflammatory drugs (NSAIDs) and acetaminophen could prevent ovarian cancer. Unlike chronic inflammation, another interesting factor that could play a role in ovarian cancer through acute inflammation is puerperal mastitis which is the most common form of mastitis. However, the existing literature examining the use of analgesics (aspirin, non-aspirin NSAIDs and acetaminophen) and the risk of ovarian cancer is inconsistent with population (different birth cohorts) and methodological differences: variations in definitions of regular use, adjustment variables but also in taking into account a possible reverse causality. In addition, no studies have attempted to assess the time-dependent association between regular use of these drugs and the risk of ovarian cancer. For puerperal mastitis during breastfeeding, two articles had assessed its association with the risk of epithelial ovarian cancer (EOC) but with methodological limitations: violation of positivity with the inclusion of women who never had of pregnancy and over-adjustment with the duration of breastfeeding which is in the causal path. Objective: This thesis aimed to achieve two general objectives which are to provide new evidence regarding the associations between: 1) the regular use of analgesics and the risk of EOC; 2) puerperal mastitis and the risk of EOC. Method: We used data from a population-based case-control study aimed at documenting factors for the prevention of ovarian cancer in Quebec (PROVAQ study). This study was conducted in the greater Montreal area, Canada, from March 2011 to September 2016 with 498 cases and 908 controls. Our methodological approach was carried out in three stages. First, we used the PROVAQ dataset to assess associations between regular use of analgesic drugs types, and also by indication and EOC risk. Second, from PROVAQ data, we evaluated the time-dependent association between regular use of a type of medication and the risk of EOC using a flexible weighted cumulative index of exposure in conditional logistic regression models. Finally, we evaluated the association between puerperal mastitis and the risk of EOC in lactating women (174 cases and 431 controls). Unconditional logistic regression was used to estimate associations between regular use of analgesic drugs types, puerperal mastitis during breastfeeding and EOC risk. Results: Our results suggest that regular use of aspirin and non-aspirin NSAIDs were inversely associated with EOC with adjusted ORs of 0.81 (95% CI: 0.57–1.12) and 0.74 (95% CI: 0.54–1.00), respectively. For regular non-aspirin NSAID use, the adjusted ORs for non-selective and selective COX-2 were 0.73 (95% CI: 0.50–1.00) and 0.83 (95% CI: 0.48–1.40), respectively. Similar associations were observed according to the level of lifetime cumulative duration or lifetime cumulative quantity of aspirin and non-aspirin NSAID. However, the associations between analgesic drug types and EOC may differ according to their indications. No association was found between the time of regular use of any type of analgesic medication in the 40 years prior to the index date and EOC. No significant association was also found between puerperal mastitis during breastfeeding and EOC (OR = 1.15; 95% CI: 0.71–1.84). Conclusions: This thesis provides evidence that supports the hypothesis that regular use of aspirin and non-aspirin NSAIDs are inversely associated with EOC. Our results also suggest the importance of considering indications for use when examining relationships between analgesic drug types and EOC. We found no association between the timing of regular analgesic use and EOC but also between puerperal mastitis during breastfeeding and EOC. However, our study was underpowered.

Coastal areas in Grenada and the Caribbean are experiencing an abundance of stranded macroalgae. Climate change and eutrophication are probable causes of this inconvenience. This leads to logistic and economic dilemmas for the Caribbean societies. Research of methods to benefit from the algal bloom is therefore valuable for a sustainable future in these countries. Studies of biogas and fertilizer production are initiated around the world, but a large scale production is absent. Therefore, this thesis scrutinize the requirements for producing biofertilizer from biogas by examine the content of macroalgae and the conditions in Grenada. To achieve this, a literature study and a miniature biogas experiment were conducted. Grenada would presumably benefit from substituting synthetic fertilizer with biofertilizer from macroalgae utilized in biogas production. The positive aspects includes the recirculation of nutrients, development of renewable energy and autonomous fertilizer production. Further research of the definite macroalgae content is essential to determine the exact extent and conditions of the fertilizer utilization. / Kustområden i Grenada och Karibien är drabbat av större mängder strandade makroalger. Klimatförändringar och övergödning är de huvudsakliga orsakerna till denna olägenhet. Detta leder till logistiska och ekonomiska problem för samhällen i Karibien. Det är därför av värde att forska på metoder för att försöka nyttja algblomningen, för en hållbar framtid i dessa länder. Studier på biogasproduktion och gödselmedelstillverkning av makroalger har utvecklats på senare tid, men en storskalig produktion är fortfarande frånvarande. Därför ska denna avhandling granska kriterierna för att använda biogödsel från biogasproduktion genom att undersöka makroalgernas innehåll, och Grenadas förutsättningar för att genomföra detta. För att uppnå detta så har en litteraturstudie och ett mindre biogasexperiment genomförts. Grenada skulle förmodligen dra fördel av att byta ut syntetiskt gödningsmedel med biogödningsmedel från biogasproduktion med makroalger. De positiva aspekterna av detta är recirkulationen av näringsämnen, etablering av förnyelsebara energikällor, samt självständig gödselproduktion. Vidare forskning på det exakta innehållet i makroalger är väsentligt för att kunna bestämma utsträckningen och förhållandena för gödselmedelsanvändningen.

[pt] Esta tese investiga a estimação de curvas de juros sob o ponto de vista de métodos não-paramétricos. O texto está dividido em dois blocos. O primeiro investiga a questão do critério utilizado para selecionar o método de melhor desempenho na tarefa de interpolar a curva de juros brasileira em uma dada amostra. Foi proposto um critério de seleção de método baseado em estratégias de re-amostragem do tipo leave-k-out cross validation, onde K k £ £ 1 e K é função do número de contratos observados a cada curva da amostra. Especificidades do problema reduzem o esforço computacional requerido, tornando o critério factível. A amostra tem freqüência diária: janeiro de 1997 a fevereiro de 2001. O critério proposto apontou o spline cúbico natural -utilizado com método de ajuste perfeito aos dados - como o método de melhor desempenho. Considerando a precisão de negociação, este spline mostrou-se não viesado. A análise quantitativa de seu desempenho identificou, contudo, heterocedasticidades nos erros simulados. A partir da especificação da variância condicional destes erros e de algumas hipóteses, foi proposto um esquema de intervalo de segurança para a estimação de taxas de juros pelo spline cúbico natural, empregado como método de ajuste perfeito aos dados. O backtest sugere que o esquema proposto é consistente, acomodando bem as hipóteses e aproximações envolvidas. O segundo bloco investiga a estimação da curva de juros norte-americana construída a partir dos contratos de swaps de taxas de juros dólar-Libor pela Máquina de Vetores Suporte (MVS), parte do corpo da Teoria do Aprendizado Estatístico. A pesquisa em MVS tem obtido importantes avanços teóricos, embora ainda sejam escassas as implementações em problemas reais de regressão. A MVS possui características atrativas para a modelagem de curva de juros: é capaz de introduzir já na estimação informações a priori sobre o formato da curva e sobre aspectos da formação das taxas e liquidez de cada um dos contratos a partir dos quais ela é construída. Estas últimas são quantificadas pelo bid-ask spread (BAS) de cada contrato. A formulação básica da MVS é alterada para assimilar diferentes valores do BAS sem que as propriedades dela sejam perdidas. É dada especial atenção ao levantamento de informação a priori para seleção dos parâmetros da MVS a partir do formato típico da curva. A amostra tem freqüência diária: março de 1997 a abril de 2001. Os desempenhos fora da amostra de diversas especificações da MVS foram confrontados com aqueles de outros métodos de estimação. A MVS foi o método que melhor controlou o trade- off entre viés e variância dos erros. / [en] This thesis investigates interest rates curve estimation under non-parametric approach. The text is divided into two parts. The first one focus on which criterion to use to select the best performance method in the task of interpolating Brazilian interest rate curve. A selection criterion is proposed to measure out-of-sample performance by combining resample strategies leave-k-out cross validation applied upon the whole sample curves, where K k £ £ 1 and K is function of observed contract number in each curve. Some particularities reduce substantially the required computational effort, making the proposed criterion feasible. The data sample range is daily, from January 1997 to February 2001. The proposed criterion selected natural cubic spline, used as data perfect-fitting estimation method. Considering the trade rate precision, the spline is non-biased. However, quantitative analysis of performance determinant factors showed the existence of out-of-sample error heteroskedasticities. From a conditional variance specification of these errors, a security interval scheme is proposed for interest rate generated by perfect-fitting natural cubic spline. A backtest showed that the proposed security interval is consistent, accommodating the evolved assumptions and approximations. The second part estimate US free-for-floating interest rate swap contract curve by using Support Vector Machine (SVM), a method derived from Statistical Learning Theory. The SVM research has got important theoretical results, however the number of implementation on real regression problems is low. SVM has some attractive characteristics for interest rates curves modeling: it has the ability to introduce already in its estimation process a priori information about curve shape and about liquidity and price formation aspects of the contracts that generate the curve. The last information set is quantified by the bid-ask spread. The basic SVM formulation is changed in order to be able to incorporate the different values for bid-ask spreads, without losing its properties. Great attention is given to the question of how to extract a priori information from swap curve typical shape to be used in MVS parameter selection. The data sample range is daily, from March 1997 to April 2001. The out-of-sample performances of different SVM specifications are faced with others method performances. SVM got the better control of trade- off between bias and variance of out-of-sample errors.

Aufkonversions-Nanokristalle (UCNC) zeichnen sich als einzigartige Lumineszenzreporter aus, die Nah-infrarotes Anregungslicht in Photonen höherer Energie umwandeln. Für die gezielte Anpassung von Eigenschaften, bedarf es ein tiefes Verständnis der Prozesse der Aufwärtskonversionslumineszenz (UCL) und deren Abhängigkeit von Material und Partikeldesign. Diese Doktorarbeit untersucht die UCL-Prozesse von Yb3+,Er3+ dotierten SrF2-UCNC und zielt darauf ab, die UCL-Eigenschaften der bisher unterschätzten kubischen Wirtsgitter zu verstehen und zu steigern. Hierbei wird die fluorolytische Sol-Gel-Synthese als neuartige Syntheseroute für UCNC vorgestellt. Vorteile wie ausgezeichnete Reproduzierbarkeit, viele Freiheitsgrade bei der Temperaturbehandlung und Partikelgestaltung werden anhand von SrF2 UCNC demonstriert. Die UCNC wurden mittels UCL-Spektren, UCL-Quantenausbeuten, leistungsdichte-abhängiger relativer spektraler Verteilung sowie der Lumineszenzabklingkinetiken unter Einbeziehung kristalliner Eigenschaften wie der Kristallphase, der Kristallitgröße, der Gitterparameter und der Teilchengröße untersucht. Die Abhängigkeit der UCL-Eigenschaften von der Dotierungsmenge wurde mit einer umfassenden Dotierungsreihe beschrieben und der optimale Dotierungsbereich (Yb3+,Er3+) von kleinen, ungeschalten SrF2-UCNC eingegrenzt. Bei der Studie dotierter Kerne mit passivierenden Schalen wurde der Einfluss von Temperaturbehandlung auf die UCL-Mechanismen und die Kern-Schale-Vermischung untersucht. Anhand von unterschiedlich kalzinierten UCNC Pulvern wurde die Empfindlichkeit der UCL gegenüber der Änderung kristalliner Eigenschaften, wie Kristallphase, Kristallinität, und Kristallitgröße betrachtet. Zusammen liefern die Dotierungs-, die Kern-Schale- und die Kalzinierungsstudie wertvolle Einblicke in das gitterspezifische Verhalten der UCL-Eigenschaften als Funktion der Energiemigration und der Kristalleigenschaften. / Upconversion nanocrystals (UCNC) represent a unique type of luminescence reporters that convert near-infrared excitation light into higher energy photons. Tailoring UCNC with specific luminescence properties requires an in-depth understanding of upconversion luminescence (UCL) processes and their dependence on material and particle design. This Ph.D. thesis focuses on the UCL processes of Yb3+,Er3+ doped SrF2-UCNC and aims to understand and enhance the UCL properties of the previously underestimated cubic host lattices. Herein, fluorolytic sol-gel synthesis is introduced as a novel synthetic route for UCNC. Advantages such as excellent reproducibility, high flexibility in temperature treatment and particle design are demonstrated using SrF2 UCNC. The UCNC were characterized by UCL spectra, UCL quantum yields, excitation power density-dependent relative spectral distribution, and luminescence decay kinetics involving crystalline properties such as crystal phase, crystallite size, lattice parameters, and particle size. The dependence of UCL properties on doping amount was described in a comprehensive doping study, and the optimal doping range (Yb3+,Er3+) of small, unshelled SrF2-UCNC was identified. In a core-shell study of doped core UCNC with passivating shells, the influence of temperature treatment on UCL mechanisms and core-shell mixing was investigated. Further, using different calcined UCNC powders, the sensitivity of UCL to the change of crystalline properties, such as crystal phase, crystallinity, and crystallite size, was assessed. Together, the doping, core-shell, and calcination studies provide valuable insight into the lattice-specific behavior of UCL properties as a function of energy migration and crystal properties.

No description available.