The 50 nm-thick polystyrene (PS) film, involved in some innovative memory devices, is sandwiched between two Al electrodes and contains 8-hydroxyquinoline (8HQ) molecules and gold nanoparticles. A periodic DFT study of the molecular adsorption of two different tautomers of the 8HQ on an Al (111) surface has been performed. The changes of the metal work function under molecular adsorption have been calculated to determine the possible effect at the interface on the electron and hole injection barriers. The strong adsorption of the 8HQ(II) tautomer makes the work function change up to 1.2 eV with respect to the bare Al (111) surface. Hence, the stabilization of the 8HQ(II) at the interface could play a key role in the switching mechanism of the device.
Bottom-Up Approach to Innovative Memory Devices: II. Molecular Adsorption on Electrodes and the Asymmetric Response / I., Pino; Causa', Mauro; V., Barone. - In: JOURNAL OF PHYSICAL CHEMISTRY. C. - ISSN 1932-7447. - STAMPA. - 114:(2010), pp. 21439-21443. [10.1021/jp1063287]
Bottom-Up Approach to Innovative Memory Devices: II. Molecular Adsorption on Electrodes and the Asymmetric Response
CAUSA', Mauro;
2010
Abstract
The 50 nm-thick polystyrene (PS) film, involved in some innovative memory devices, is sandwiched between two Al electrodes and contains 8-hydroxyquinoline (8HQ) molecules and gold nanoparticles. A periodic DFT study of the molecular adsorption of two different tautomers of the 8HQ on an Al (111) surface has been performed. The changes of the metal work function under molecular adsorption have been calculated to determine the possible effect at the interface on the electron and hole injection barriers. The strong adsorption of the 8HQ(II) tautomer makes the work function change up to 1.2 eV with respect to the bare Al (111) surface. Hence, the stabilization of the 8HQ(II) at the interface could play a key role in the switching mechanism of the device.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
