A. Nagarajan, S. Mukherjee, et al.
Journal of Applied Mechanics, Transactions ASME
A brief summary is given of a recent study of Alq3 (tris(8-hydroxyquinolino)aluminum) (Alq3)-metal interfaces using density-functional-theory-based molecular dynamics. The systems simulated are the organic molecule interacting with lithium, aluminum and calcium surfaces as well as with individual metal atoms. Structural and bonding properties as well as electronic spectra reveal clear differences between the three cases as well as common features.
A. Nagarajan, S. Mukherjee, et al.
Journal of Applied Mechanics, Transactions ASME
Heinz Schmid, Hans Biebuyck, et al.
Journal of Vacuum Science and Technology B: Microelectronics and Nanometer Structures
F.J. Himpsel, T.A. Jung, et al.
Surface Review and Letters
M.A. Lutz, R.M. Feenstra, et al.
Surface Science