Avec un encombrement minimal et rendement de 99% les transformateurs planars haute fréquence sont des solutions technologiques importantes pour les systèmes de conversion et de conditionnement de l’énergie électrique en électronique de puissance. L’objectif de l’étude consiste à rechercher un modèle du composant permettant à la fois de simuler son comportement dans un circuit d’électronique de puissance et d’optimiser ses performances lors de sa conception. Les modèles proposés prennent en compte les propriétés physiques et géométriques du composant. Les validations sont basées sur des confrontations avec les mesures. Une autre motivation forte de ce travail est que les modélisations numériques doivent prendre en compte simultanément les effets des courants induits et les capacités parasites, ce qui conduit, en haute fréquence, à des besoins prohibitifs en termes de capacité mémoire ou de temps de calcul. En se limitant aux transformateurs planar. La modélisation (dite LEEC) présentée ici s’appuie sur une discrétisation à échelle intermédiaire : spire par spire, c’est-à-dire couche par couche. Elle assemble deux approches analytiques déjà introduites par l’équipe : la première traite les aspects électrocinétiques (incluant les courants induits) et magnétiques et l’autre les aspects électrostatiques. Les circuits à constantes localisées basés sur la méthode LEEC montrent un très bon accord avec toutes les mesures jusqu’à 40 MHz. Des outils numériques sont aussi développés pour faciliter l’obtention de ces différents circuits en partant : soit de la description du composant, soit de mesures d’impédances. Pour compléter, la représentation des capacités d’un transformateur quelconque, développée en plusieurs étapes par l’équipe, est résumée et des précautions expérimentales originales appliquées à l’impédancemétrie sont exposées dans le détail. D’autres travaux visant à élargir le champ d’application de la méthode LEEC sont également présentés. / With a small footprint and volumes and 99% efficiency the high frequency Planar transformers are solutions for major power conversion systems in power electronics. The objective of the study is to find Models to both simulate its behavior in a power electronics circuit and optimize its performance during its design. The proposed models take into account the physical and geometrical properties of the component. Validations are based on confrontation with measurements. Another strong motivation of this work is the numerical modeling must take into account both the effects of induced currents and parasitic capacitances, this level of modeling needs prohibitive sizes in terms of memory and computation time. Modeling (called LEEP) presented here is based on a intermediate scale discretization: turn by turn (conducting layer by conducting layer). It combines two analytical approaches already introduced by our team: the first deals with aspects electrokinetic (including induced currents) and magnetic and electrostatic aspects. Lumped circuits based on the method LEEC show a very good agreement with measurements up to 40 MHz. Software tools are also being developed to facilitate the achievement of these circuits either from the component description, or impedance measurements. In order to complete the modeling the capacitive behavior of any transformer is presented (historical development by our team is also shown in details). New experimental precautions and methodology for impedance measurements is detailed in this work. Other works aiming to extend the LEEC model are also shown.

Nos últimos anos, complexos de irídio tem sido sugeridos para uso em materiais luminescentes, tais como diodos orgânicos emissores de luz (OLED\'s) e células eletroquímicas emissoras de luz (LEEC\'s). Suas potenciais utilidades como dispositivo é devido as suas características físico-químicas e fotofísicas, as quais são caracterizadas por tempos de vida curtos para o tripleto, estabilidade térmica, além da possibilidade de modificar a emissão sobre uma vasta gama de cores do espectro. Atualmente, muitas pesquisas tentam encontrar complexos de irídio com emissão de luz azul. No entanto, embora emissores de luz azul já tenham sido desenvolvidos, existe o problema relacionado a agregação destes complexos. Para resolver este o problema da agregação é necessário modificar a estrutura padrão do complexo com cadeias carbônicas saturadas para evitar empilhamento π-π. Experimentalmente esta é uma tarefa um tanto difícil. Dessa forma, métodos computacionais têm sido viáveis como uma abordagem para entender a estrutura e propriedades eletrônicas dos sistemas estudados. Aqui, é apresentado um estudo teórico baseado na teoria do funcional da densidade (DFT) para investigar a agregação de complexos de irídio, além de predizer como esta pode ser controlada com o uso de grupos substituintes adequados. Os cálculos foram realizados usando funcional PBE0 e conjunto de base 6-31G*, o qual provou ser adequada na descrição das propriedades do complexo. Portanto, cálculos subsequentes mostraram bons resultados, onde os estados excitados foram previstos ser de natureza predominantemente MLCT (transferência de carga do metal para o ligante) para o complexo 1 e LC (carga centrada no ligante) para o complexo 2. Alterações no ambiente químico provou ter grande influência sobre os estados excitados, onde a inclusão do solvente favoreceu a estabilidade, mantendo os estados excitados tripletos com energia entre 3.01 eV e 3.03 eV. Além disso, o uso dos grupos substituintes provou ser de grande importância para prevenir a agregação, especialmente no complexo 2, em que a partir do dímero matriz (sem substituintes) para o complexo substituído 2-1 (com metil) houve uma desestabilização da energia de interação entre os monômeros no dímero por ~ 19.78 kcal/mol, sendo que a energia do primeiro foi estimada ser -39.78 kcal/mol, enquanto o segundo foi -20 kcal/mol. Nossos resultados sugerem que a modificação do complexo torna-se bastante promissora, fazendo uso de pequenos grupos substituintes e cadeias carbônicas alifáticas, evitando assim, a agregação por empilhamento π-π. / In the last few years, iridium complexes have been suggested for use in luminescent materials such as organic light-emitting diodes (OLEDs) and light emitting electrochemical cells (LEECs)1-3. Their potential utility as luminescent devices is due to the physicochemical and photophysical properties, which are featured by short triplet emitting lifetimes (microseconds time scale), thermal stability, besides of possibility to tune the emission over desired spectral range. Actually, many researches try to find iridium complexes with efficient deep-blue emission, in order to use in these devices. Although many deep-blue emitters have been developed, there is still a big problem related to aggregation. So far, little has been reported about iridium complexes in solid environments, such as inorganic matrix of OLEDs and LEECs devices. To solve this issue is needed tune the structure of the complex in order to prevent the aggregation (steric hindrance), by means of drawing saturated carbon chains on the ligands to avoid the π-π stacking. Experimentally, this is a rather challenging and expensive task. In this aspect, computational methods have been performed as approaches to gain deeper insights about the structure and electronic properties of the studied systems. Here, we present a theoretical study based on density functional theory to investigate the aggregation iridium complexes, in addition to predict how this can be controlled with the use of suitable substituent groups. Calculations were performed using functional PBE0 and 6-31G* basis functions, which proved adequate in describing the properties of the complex. Therefore, subsequent calculations showed good results, where the excited state of the complex are provided, these being predominantly MLCT (metal to ligand charge transfer) nature for the complex 1 and LC (ligand centered) nature to complex 2. Changes in the chemical environment proved to have great influence on the excited states, where the inclusion of the solvent favored its stability, keeping the triplet excited states with energy between 3.01 and 3.03 eV. Furthermore, the use of substituent groups proved to be of great importance to prevent aggregation, especially in complex 2, wherein from the matrix dimer (no substituted) to complex with methyl groups there was a destabilization of the interaction energy between the monomers in the dimer by ~ 19.78 kcal / mol, being that the energy of the first was -39.78 kcal / mol, while the second was to -20 kcal / mol. Our results suggest that the modification of the complex becomes quite promising, making use of small groups and aliphatic carbon chains, thus avoiding aggregation by stacking.

Avec un encombrement minimal et rendement de 99% les transformateurs planars haute fréquence sont des solutions technologiques importantes pour les systèmes de conversion et de conditionnement de l'énergie électrique en électronique de puissance. L'objectif de l'étude consiste à rechercher un modèle du composant permettant à la fois de simuler son comportement dans un circuit d'électronique de puissance et d'optimiser ses performances lors de sa conception. Les modèles proposés prennent en compte les propriétés physiques et géométriques du composant. Les validations sont basées sur des confrontations avec les mesures. Une autre motivation forte de ce travail est que les modélisations numériques doivent prendre en compte simultanément les effets des courants induits et les capacités parasites, ce qui conduit, en haute fréquence, à des besoins prohibitifs en termes de capacité mémoire ou de temps de calcul. En se limitant aux transformateurs planar. La modélisation (dite LEEC) présentée ici s'appuie sur une discrétisation à échelle intermédiaire : spire par spire, c'est-à-dire couche par couche. Elle assemble deux approches analytiques déjà introduites par l'équipe : la première traite les aspects électrocinétiques (incluant les courants induits) et magnétiques et l'autre les aspects électrostatiques. Les circuits à constantes localisées basés sur la méthode LEEC montrent un très bon accord avec toutes les mesures jusqu'à 40 MHz. Des outils numériques sont aussi développés pour faciliter l'obtention de ces différents circuits en partant : soit de la description du composant, soit de mesures d'impédances. Pour compléter, la représentation des capacités d'un transformateur quelconque, développée en plusieurs étapes par l'équipe, est résumée et des précautions expérimentales originales appliquées à l'impédancemétrie sont exposées dans le détail. D'autres travaux visant à élargir le champ d'application de la méthode LEEC sont également présentés.

Nos últimos anos, complexos de irídio tem sido sugeridos para uso em materiais luminescentes, tais como diodos orgânicos emissores de luz (OLED\'s) e células eletroquímicas emissoras de luz (LEEC\'s). Suas potenciais utilidades como dispositivo é devido as suas características físico-químicas e fotofísicas, as quais são caracterizadas por tempos de vida curtos para o tripleto, estabilidade térmica, além da possibilidade de modificar a emissão sobre uma vasta gama de cores do espectro. Atualmente, muitas pesquisas tentam encontrar complexos de irídio com emissão de luz azul. No entanto, embora emissores de luz azul já tenham sido desenvolvidos, existe o problema relacionado a agregação destes complexos. Para resolver este o problema da agregação é necessário modificar a estrutura padrão do complexo com cadeias carbônicas saturadas para evitar empilhamento π-π. Experimentalmente esta é uma tarefa um tanto difícil. Dessa forma, métodos computacionais têm sido viáveis como uma abordagem para entender a estrutura e propriedades eletrônicas dos sistemas estudados. Aqui, é apresentado um estudo teórico baseado na teoria do funcional da densidade (DFT) para investigar a agregação de complexos de irídio, além de predizer como esta pode ser controlada com o uso de grupos substituintes adequados. Os cálculos foram realizados usando funcional PBE0 e conjunto de base 6-31G*, o qual provou ser adequada na descrição das propriedades do complexo. Portanto, cálculos subsequentes mostraram bons resultados, onde os estados excitados foram previstos ser de natureza predominantemente MLCT (transferência de carga do metal para o ligante) para o complexo 1 e LC (carga centrada no ligante) para o complexo 2. Alterações no ambiente químico provou ter grande influência sobre os estados excitados, onde a inclusão do solvente favoreceu a estabilidade, mantendo os estados excitados tripletos com energia entre 3.01 eV e 3.03 eV. Além disso, o uso dos grupos substituintes provou ser de grande importância para prevenir a agregação, especialmente no complexo 2, em que a partir do dímero matriz (sem substituintes) para o complexo substituído 2-1 (com metil) houve uma desestabilização da energia de interação entre os monômeros no dímero por ~ 19.78 kcal/mol, sendo que a energia do primeiro foi estimada ser -39.78 kcal/mol, enquanto o segundo foi -20 kcal/mol. Nossos resultados sugerem que a modificação do complexo torna-se bastante promissora, fazendo uso de pequenos grupos substituintes e cadeias carbônicas alifáticas, evitando assim, a agregação por empilhamento π-π. / In the last few years, iridium complexes have been suggested for use in luminescent materials such as organic light-emitting diodes (OLEDs) and light emitting electrochemical cells (LEECs)1-3. Their potential utility as luminescent devices is due to the physicochemical and photophysical properties, which are featured by short triplet emitting lifetimes (microseconds time scale), thermal stability, besides of possibility to tune the emission over desired spectral range. Actually, many researches try to find iridium complexes with efficient deep-blue emission, in order to use in these devices. Although many deep-blue emitters have been developed, there is still a big problem related to aggregation. So far, little has been reported about iridium complexes in solid environments, such as inorganic matrix of OLEDs and LEECs devices. To solve this issue is needed tune the structure of the complex in order to prevent the aggregation (steric hindrance), by means of drawing saturated carbon chains on the ligands to avoid the π-π stacking. Experimentally, this is a rather challenging and expensive task. In this aspect, computational methods have been performed as approaches to gain deeper insights about the structure and electronic properties of the studied systems. Here, we present a theoretical study based on density functional theory to investigate the aggregation iridium complexes, in addition to predict how this can be controlled with the use of suitable substituent groups. Calculations were performed using functional PBE0 and 6-31G* basis functions, which proved adequate in describing the properties of the complex. Therefore, subsequent calculations showed good results, where the excited state of the complex are provided, these being predominantly MLCT (metal to ligand charge transfer) nature for the complex 1 and LC (ligand centered) nature to complex 2. Changes in the chemical environment proved to have great influence on the excited states, where the inclusion of the solvent favored its stability, keeping the triplet excited states with energy between 3.01 and 3.03 eV. Furthermore, the use of substituent groups proved to be of great importance to prevent aggregation, especially in complex 2, wherein from the matrix dimer (no substituted) to complex with methyl groups there was a destabilization of the interaction energy between the monomers in the dimer by ~ 19.78 kcal / mol, being that the energy of the first was -39.78 kcal / mol, while the second was to -20 kcal / mol. Our results suggest that the modification of the complex becomes quite promising, making use of small groups and aliphatic carbon chains, thus avoiding aggregation by stacking.