UNIPD - Department of Chemical Sciences (Team Leader: Prof. G. Granozzi)

General description:
More than 100 professors work at the Department of Chemical Sciences (DSC) together with technicians, visiting scientists, PostDocs, PhDs and diploma students, for a total of ca 300 individuals (see http://www.chimica.unipd.it/). This makes the DSC to be the largest Department of the University of Padua. Within the DSC, the host laboratory, the Surface Science Lab (SSL) (http://www.chimica.unipd.it/surfacescience/ ) led by Prof. Granozzi, has a long experience in the field of Surface Science (SS).
Currently active research lines of the SSL are:
· deposition and full characterization (chemical, structural, morphological and functional) of ultra-thin oxide films on metallic single crystals;
· deposition and full characterization (chemical, structural, morphological and functional) of metal NPs;
· development of nano-catalysts for clean catalytic converters;
· structure, defectivity and properties of doped and decorated oxide-based nanoarchitectures for water splitting and photocatalysis;
· heat-driven morphological transformation of materials using Scanning probe microscopies.

Role in the project and main tasks:
The University of Padova will coordinate the whole project and will contribute to WP2, WP3, WP4, WP5, WP6 and WP8. In WP2 UniPd will be the leader and will be the main actor in developing a surface science based approach to model supports and catalysts to derive structure/morphology/activity relationships. The focus will be on preparation and characterization of TiOxCy and MCx/TiOxCy (M=Mo,W) films under UHV conditions and the corresponding in situ EC tests. UNIPD will contribute to WP3 by ab-initio (DFT) predictions of structural, electronic, thermodynamic, chemical and electrochemical properties of the studied systems, with particular focus on the defectivity of the Magnéli-like TiOxCy phases and theoretical Pourbaix-like potential/pH diagrams. The participation to WP4, WP5 and WP6 will be mainly based on the surface characterization of the high surface area samples developed at TUM, ULL and UCPH.

Relevant experience:
The SSL has been a partner into two European STRP networks within the VI PQ having a focus on Nanoscience topics, i.e. GSOMEN (Growth and supra-organization of transition and noble metal nanoclusters) and NanoChemSens (Nanostructures for chemical sensors). Concerning the actual content of the present project, the past experience of the host lab in the field of model catalysts, on metal deposition in UHV from metalcarbonyls and on ultrathin TiOx films will be capitalized.

Key persons:

Prof. Gaetano Granozzi (full Professor, Project Coordinator). He has considerable experience with scientific cooperation due to the above mentioned projects. He is now leading the SSL of the University of Padova, where ca 10 people are engaged in research topics of relevance for N&N. He is at the moment the Director of the PhD School in Material Science and Engineering of the University of Padova. He is co-author of ca. 250 papers appeared in international journals.

Prof. Maurizio Casarin (full Professor) and Dr. Vittadini (senior CNR researcher) are experts in electronic structure and materials properties calculations from density functional theory (DFT).

Prof. Alessandro Martucci (Associate Professor at the Industrial Engineering Department) is expert on solgel synthesis of porous titania films and powders.

Dr. Stefano Agnoli (researcher) is a young but experienced surface scientist who passed a period at the Brookhaven National Labs (NY, USA) working in the field of model catalysts. He is highly experienced in the field of scanning probes.

Dr. C. Durante (researcher) is an experienced electrochemist who will participate to DECORE to assist for the in situ EC characterizations.

Dr Marco Bersani is involved as post-doc (one year) for the optimization of the preparation of TiOxCy powders.

Dr. Laura Calvillo is involved as post-doc (two years) both for the preparation and characterization of the MCx/TiOxCy model systems and the powders.