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Aluminium-polyimide adhesion

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Resumo:We present a theoretical study of the interactions between isolated aluminium atoms and a polyimide surface and between polyimide and aluminium surface. The effect of surface modification on adhesion is also discussed. Self-consistent geometry optimization and molecular orbital calculations have been carried out within CNDO approximation in a cluster model framework. Our results suggest that aluminium atoms react preferentially with five and six-fold rings of polyimide when those chemical groups are present on the surface. The compound formation is accompanied by charge transfer from the metal atoms to polyimide and charge rearrangement among the polyimide atoms. Madelung potential calculations also suggest considerable core level shifts at polyimide atoms far from the reaction site. The adhesion of polyimide to aluminium surface is predicted to be somewhat weaker than that of aluminium to polyimide.
Autores principais:Ramos, Marta M. D.
Outros Autores:Stoneham, A. M.; Sutton, A. P.
Assunto:Scanning tunneling microscopy Electronic-structure Ion-bombardment Metal Monolayers Films
Ano:1993
País:Portugal
Tipo de documento:artigo
Tipo de acesso:acesso aberto
Instituição associada:Universidade do Minho
Idioma:inglês
Origem:RepositóriUM - Universidade do Minho
Descrição
Resumo:We present a theoretical study of the interactions between isolated aluminium atoms and a polyimide surface and between polyimide and aluminium surface. The effect of surface modification on adhesion is also discussed. Self-consistent geometry optimization and molecular orbital calculations have been carried out within CNDO approximation in a cluster model framework. Our results suggest that aluminium atoms react preferentially with five and six-fold rings of polyimide when those chemical groups are present on the surface. The compound formation is accompanied by charge transfer from the metal atoms to polyimide and charge rearrangement among the polyimide atoms. Madelung potential calculations also suggest considerable core level shifts at polyimide atoms far from the reaction site. The adhesion of polyimide to aluminium surface is predicted to be somewhat weaker than that of aluminium to polyimide.