Estudo DFT para a interação das moléculas de CO e NO com perovskitas de LaFePdO3 dopadas com Mn, Co e Ni

• Autor(a) principal: Santos, Mayke Machado
• Data de Publicação: 2014
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Biblioteca Digital de Teses e Dissertações da UERJ
• Texto Completo: http://www.bdtd.uerj.br/handle/1/15780
• topic: Catalysts; perovskite; smart catalysts; environment.; Catalisadores; perovskita; catalisadores inteligentes; meio ambiente; CNPQ::CIENCIAS EXATAS E DA TERRA::QUIMICA

Has been recently developed the use of precious metal catalysts supported on perovskite oxides in automobiles . Such catalyst systems are known as Smart catalysts. The technology of smart catalysts points to a new future in automotive catalysis and appears promising as a replacement for conventional catalysts . The understanding of the main factors that lead to self regeneration of these catalysts is a key step in the evolution of this technology process. The mechanism of self regeneration is directly responsible for the substantial increase in the lifetime of these catalysts towards the conventional . Consequently , the cost is much lower compared to the conventional . Another relevant factor is the structural durability and the possibility of large number of possible combinations of perovskite structures that make them excellent for estudo.o objective is to understand the self regenerative process of the automotive catalyst based perovskite doped with a cobalt atom , MN and nickel and when exposed to an environment with a molecule of NO and CO , by analyzing the interaction of these dopant atoms relative to the perovskite structure and behaves as the palladium atom on contact with the molecule of NO and CO