First-principles molecular dynamics study of Al/Alq3 interfaces
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 37.4 kJ/mol,...
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| Format: | Article |
| Language: | English |
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Taylor & Francis Group
2007-01-01
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| Series: | Science and Technology of Advanced Materials |
| Online Access: | http://www.iop.org/EJ/abstract/1468-6996/8/3/A14 |