Istituto dei materiali per l'elettronica ed il magnetismo     
Verucchi R., Nardi M., Aversa L., Toccoli T., Coppedè N., Iannotta S., Mattioli G., Filippone F., Amore Bonapasta A. Functionalizing nanostructured TiO2 by a supersonic beam approach: an experimental and theoretical investigation. In: ECOSS26 - 26th European Conference on Surface Science (Parma, 30 Aug - 4 Sept 2009). Abstract, pp. 59 - 60. European Physical Society, 2009.
Functional hybrids are nanocomposite materials lying at the interface of organic and inorganic realms, combining properties and advantages of both materials, and possibly minimizing their disadvantages.Their potential high versatility others a wide range of possibilities of realizing tailored materials in term of chemical and physical properties. During the last years several studies on hybridmaterials were aimed at different goals, in particular at improving the performances and the reliability of these compounds for applications in energetics and gas sensing. Investigations of the fundamental spectroscopic properties of isolated organic molecules in the inorganic matrix were also performed to understand the molecule-substrate energy transfer process as well as the possibility of functionalizing the inorganic semiconducting nanostructured materials by bonding on them specific, appositely designed organic compounds. In this regard, we have developed an innovative method for the deposition of thin films by means of Supersonic Molecular Beams seeded by molecules, aggregates and clusters (SuMBD).The main characteristic of this approach is the control of the particles' kinetics, in terms of kinetic energy (from 0.1eV up to tens of eV) and internal energy. We have synthesized nanocrystalline metal oxides (TiO2) by SuMBD, at room temperature without the need of any thermal treatment. The nanostructured oxide has been functionalized by means of supersonic beams of an organic dye (CuPc) and characterized in-situ with ellipsometry and electronic spectroscopies (UPS, XPS).The experimental results have been interpreted by performing first-principles theoretical investigations using DFTmethods at the LSDA-GGA+U level, ultrasoft pseudopotentials, plane waves basis sets, and a supercell approach. The structure, chemical bonding and electronic structure of CuPc interacting with the TiO2 surface will be discussed in detail.
Subject SuMBD

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