Helmholtz-Zentrum Geesthacht, 2018-02-22
http://www.hzg.de/032974/index_0032974.html.en

Università degli Studi di Torino, Italy (UNITO)

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NIS Centre of Excellence "Nanostructured Interfaces and Surfaces", Dipartimento di Chimica I.F.M. Universita' di Torino, Italy

Profile

Catlab reactor coupled with mass spectrometer for decomposition products determination and H2 evolution. [Download © UNITO] Catlab reactor coupled with mass spectrometer for decomposition products determination and H2 evolution. [Download © UNITO]

The Centre "Nanostructured Interphases and Surfaces" (NIS) has the dual mission of pursuing basic research and offering applied research services. The Centre offers a multi-disciplinary laboratory equipped with the most advanced techniques in microscopy and spectroscopy. The research groups of NIS of the University of Torino have focused their activities on several topics. Hydrogen storage is currently studied on different materials, including metallic hydrides.

NIS participates in advanced level training courses, supervises PhD students and use to welcoming and training foreigner visitors. The Centre participates in the Doctorate Course in Materials Science and Technology of the University of Torino and of Torino Polytechnic.

UNITO team participated to various European Projects on Hydrogen Storage (i.e. COSY and FLYHY). UNITO is coordinating the SSH2S project on hydrogen storage, financed by the FCH JU. UNITO i s a member of the New European Research Grouping on Fuel Cells and Hydrogen, N.ERGHY.

In BOR4STORE, UNITO is leader of WP3, based on ab initio calculations and thermodynamic and kinetic modelling. In WP1 and WP2, UNITO will be involved for the experimental characterization of selected materials.

Further information

momo.ch.unito.it


www.nis.unito.it


Key personnel

Prof. Marcello Baricco

IGA (intelligent Gravimetric Analyser) system for isotherm determination, TGA analysis and H2 absorption/desorption. [Download © UNITO] IGA (intelligent Gravimetric Analyser) system for isotherm determination, TGA analysis and H2 absorption/desorption. [Download © UNITO]

Prof. Marcello Baricco is an expert in kinetic and thermodynamic modelling. He is full professor in Metallurgy at the Department of Chemistry of the University of Torino, where he's carrying out teaching and research activity. He was supervisor of several degree and Ph.D. theses in Chemistry, Industrial Chemistry, Materials Science, Strategic Science. He has been responsible for the University of Torino in several national and international research projects with research institutions and industrial partners (PRIN-MIUR, UE, CRUI). He participated as scientific leader in research projects in the frame of the IV, V and VI Framework programs of the European Community (BRITE, RTN, MC-RTN).

Prof. Baricco's research activity is mainly based on Physical Metallurgy and it has been carried out at the Laboratory of Metallurgy of the Chemistry Department of the University of Torino. The scientific contributions have been presented in about 190 papers, published in international and national journals, and in several invited talks in international and national meetings.

The main research topics are related to metastable phases in metallic systems and may be classified as follow: a) Microstructure and kinetics of phase transformations in metallic systems; b) Thermodynamic properties an phase diagrams in metallic systems; c) Magnetic, mechanical and chemical properties of amorphous alloys and intermetallic compounds.

Prof. Silvia Bordiga

Is an expert in spectroscopy. Her scientific activity is mainly devoted to the characterisation of the physical-chemical properties of high surface area materials, in particular of oxides, zeolites and MOFs, with a specific attention to their surface properties. She is also strongly involved in experiments exploiting synchrotron radiation facilities. She has co-authored about 200 research and review papers appeared in international journals.

Prof. Giuseppe SPOTO

Expert on the characterization of the surface properties of oxides, zeolites and zeotypes, as pure systems or containing supported, grafted or incapsulated metal species, by means of spectroscopic, gravimetric and volumetric, methods, electron microscopies, etc. He is author of about 160 papers. The role in the project is the physical-chemical characterization (by means of the experimental methods cited above) of materials for H2 storage.

Dr. Bartolomeo Civalleri

faculty researcher in the Theoretical Chemistry. His scientific activity is mainly devoted to ab initio modeling in solid state chemistry, in particular: bulk and surface properties of biomaterials; H-bond interactions in solids; adsorption phenomena in microporous materials and molecular crystals.

Recently, he explored the possible use of zeolites in both their acidic and cation-exchanged forms for di-hydrogen storage. Then, he studied the adsorption of CO, CO2 and N2 on exposed metal cation in MOFs. He is co-author of more than 85 papers. In this project he will be in charge of the theoretical modelling part. In particular, in the application of the CRYSTAL code to the study of simple and doped boron hydrides.

Experimental and Theoretical Techniques

PXD, SEM, FTIR inside glove-box , Raman, TPD-MS, PCT, TGA, HP-DSC. Ab initio, thermodynamic and kinetic modelling of phase transformations.

[Download © UNITO] [Download © UNITO]

Calculated enthalpy of mixing in the AlH3 -AlF3 trigonal solid solution at 298 K and 1bar in comparison with the results from first-principles calculations

[Download © UNITO] [Download © UNITO]

Optimized structure of LiBH3.75F0.25

[Download © UNITO] [Download © UNITO]

Experimental IR spectra of different LiBH4 + Lithium-halide mixtures

Selected publications

  • D. Pottmaier, C. Pistidda, E. Groppo, S. Bordiga, G. Spoto, M. Dornheim, M. Baricco, "Dehydrogenation reactions of 2NaBH4 + MgH2 system”, International Journal of Hydrogen Energy, 36 (2011) 7891-7896, DOI: 10.1016/j.ijhydene.2011.01.059.
  • D. Pottmaier, E. R. Pinatel, J. G. Vitillo, S. Garroni, M. Orlova, M. D. Barò, G. B. M. Vaughan, M. Fichtner, W. Lohstroh and M. Baricco, " Structure and Thermodynamic Properties of the NaMgH3 Perovskite: A Comprehensive Study”, Chem. Mater. , 2011 , 23 (9), pp 2317–2326, DOI: 10.1021/cm103204p
  • D. Usvyat, B. Civalleri, L. Maschio, R. Dovesi, C. Pisani, M. Schütz, "Approaching the theoretical limit in periodic local MP2 calculations with atomic-orbital basis sets: The case of LiH”, Journal of Chemical Physics, (2011) 134 214105, DOI: 10.1063/1.3595514
BOR4STORE related publications

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