We report a theoretical investigation of the chemical interaction between Mg and an organic thin film made of Alq3 molecules, using first principle molecular dynamics for structural optimization.The organometallic complex formation in an effect of the environmet which make possible the interaction of the metal atom (Mg) with two adjacent Alq3 molecules.

Chemistry between Magnesium and Multiple Molecules in Tris(8-hydroxyquinoline) Aluminum Films

Palma A;
2003

Abstract

We report a theoretical investigation of the chemical interaction between Mg and an organic thin film made of Alq3 molecules, using first principle molecular dynamics for structural optimization.The organometallic complex formation in an effect of the environmet which make possible the interaction of the metal atom (Mg) with two adjacent Alq3 molecules.
2003
Istituto per lo Studio dei Materiali Nanostrutturati - ISMN
organic thin films
metallic contacts
ab initio MD
DFT
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/29704
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