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We have carried out first-principles molecular dynamics simulations of Al deposition on tris (8-hydroxyquinoline) aluminum (Alq3) layers to investigate atomic geometries and electronic properties of Al/Alq3 interfaces. Al atoms were ejected to Alq3 one by one with the kinetic energy of 37.4kJ/mol, which approximately corresponds to the average kinetic energy of Al at the boiling temperature of metal...
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