Transporte eletrônico em sistemas semicondutores orgânicos emissores de luz

Detalhes bibliográficos
Ano de defesa: 2012
Autor(a) principal: Silva, Hugo Santos
Orientador(a): Não Informado pela instituição
Banca de defesa: Não Informado pela instituição
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Uberlândia
BR
Programa de Pós-graduação em Física
Ciências Exatas e da Terra
UFU
Programa de Pós-Graduação: Não Informado pela instituição
Departamento: Não Informado pela instituição
País: Não Informado pela instituição
Palavras-chave em Português:
Link de acesso: https://repositorio.ufu.br/handle/123456789/15648
https://doi.org/10.14393/ufu.di.2012.358
Resumo: In this text, the structural and electronic properties of organic semiconductor compounds derived from chalcogenophene-dialkoxyphenylene are studied by Density Funcional Theory with semi-empirical corrections. The electro-optical structure of the compunds whose chalcogene varies among Sulfur, Selenium and Tellurium is determined for two distinct backbone molecular architectures and it is understood as a key-parameter to the comprehension of the properties of electronic transport on these structures. Moreover, a strong dependency of transport on the static electronic structure is developed, when the dynamic electronic structure is only determined for model comprovation. The influences of lateral branches on the morphology and associated conduction properties are also studied. An analysis based on the quantum interactions within density functional framework was carried out in order to evaluate the relation architecture-electronics and considerations based on Group Theory are performed on the target geometries, whose symmetry are associated to the energetic dependencies of interesting orbitals. With these concepts, a novel photovoltaic cell geometry is proposed and semi-developed, where all the benefical influencies can be highlighted so that high-efficiency excitonic conversion devices can be developed based on organic-inorganic hybrid architectures.