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Lunch 12:30 2 Welcome reception 18:30 18:00 Suzanne Giorgio (AMU-CINaM) Nanomaterials: shape, structure, organization, and reactivity by TEM Keynote lecture Klaus Wandelt (U Bonn) Electrochemical Surface Science 17:30 17:00 16:30 16:00 15:30 15:00 Coffee Florian Schweinberger (TUM) Introduction Ulrich Heiz (TUM) Research at the CRC 14:00 14:30 Registration 13:30 13:00 12:00 Discussion in groups Frédéric Fages (AMU-CINaM) Presentation of the CINaM Margrit Hanbücken (AMU-CINaM) C’Nano PACA Lab visit Corinna Hess (TUM) Multi-cofactored Catalysts for Small Molecule Chemistry 11:30 11:00 Lionel Santinacci (AMU-CINaM) Functional one-dimensional nanostructures 10:30 Tuesday th March 24 , 2015 CINaM Veronika Zinth (TUM) Neutron methods in battery research Coffee Monday rd March 23 , 2015 CINaM 10:00 09:30 09:00 Time Notre Dame de la Garde – Vieux Port Conference outing Calanques – Belvedère Lunch Keynote lecture Thomas Michely (U Cologne) The backside of graphene – functionalization and new hybrid materials Coffee Wednesday th March 25 , 2015 CINaM Conrad Becker (AMU-CINaM) Surfaces as 2D templates Departure to MRS airport Discussion in groups Olivier Thomas (AMU-IM2NP) Presentation of the IM2NP Lab visit Lunch Olivier Thomas (AMU-IM2NP) Mechanical properties of nanostructures Jean-Marc Themlin (AMU-IM2NP) Electronic properties of 2D systems Harald Oberhofer (TUM) First-Principles Based Multiscale Modeling in Materials, Energy and Catalysis Coffee Thursday th March 26 , 2015 IM2NP Conrad Becker Professor Aix-‐Marseille Université CINaM – UMR 7325 Campus de Luminy – case 913 13288 Marseille cedex 09, France conrad.becker@univ-‐amu.fr Research interests Template-‐controlled growth of nanomaterials Thin organic films Nanocatalysis Presentation title Surfaces as 2D templates Abstract The bottom-‐up fabrication of ordered nanostructures is a technological challenge, which is fundamental for the fabrication of nanoscale materials. This approach requires a profound knowledge of the mechanisms, which govern self-‐organization of matter at the nanometer scale. Three distinct examples will be discussed, which are based on different interaction mechanisms. A common point will however be the influence of the substrate on the growth via a template effect [1]. The first example concerns the template-‐controlled growth of metal nanoparticles on thin nanostructured alumina films. The second example treats the growth of highly-‐ordered films of n-‐ heteroacenes on Au(111), which is mediated by hydrogen bonding. Finally the growth of a functionalized bipyrene on Au(111) is presented, which results in an ordered layer that is stabilized by Van der Waals interactions. [1] C. Becker, K. Wandelt, Surfaces: Two-‐dimensional Templates, Top. Curr. Chem. 287, 45-‐86 (2009), DOI: 10.1007/128_2008_151 3 Suzanne Giorgio Professor Aix-‐Marseille Université CINaM – UMR 7325 Campus de Luminy – case 913 13288 Marseille cedex 09 suzanne.giorgio@univ-‐amu.fr Research interests Metal nanoparticles and nanoalloys In situ transmission electron microscopy Presentation title Nanomaterials: shape, structure, organization, and reactivity by TEM Abstract Metal nanoparticles (NPs) and nanoalloys are interesting for many applications in physics, chemistry, biology and nanomedicine. Among all the preparation techniques, the most recent techniques by soft chemistry allow to synthetize NPs with homogeneous composition and size, and perfectly organize them when they are deposited on flat substrates. TEM is the ideal tool to characterize the size, morphology, structure, composition, organization and structure at the interface with the substrate. On the other hand, it does not give any information about the surface reconstruction, which is better seen by STM. An important property of NPs is their reactivity in different gas phase reactions. Therefore, they are often used as catalysts. The reactivity in gas, related to morphological changes or surface segregation can be studied in situ by environmental microscopy. The in situ growth of nanoalloys in liquid can also be directly observed during the reduction by the electron beam. Standard and new techniques of transmission electron microscopy are presented with examples. In situ observations in TEM are compared to other in situ techniques as XPS, GISAXS … 4 Ueli Heiz Professor Academic Director of the Catalysis Research Center Technische Universität München Chair of Physical Chemistry Lichtenbergstraße 4 85747 Garching, Germany [email protected] Research interests Cluster Chemistry, Cluster Physics Catalysis, Photocatalysis Presentation title Clusters in Action Abstract The study of size-‐selected clusters on surfaces has been growing into a vital research field within cluster science and catalysis since the discovery of the astonishing size-‐dependent activity of small gold clusters for the oxidation of CO in the late nineties. More than one decade of research in a combined effort between theory and experiment has resulted in a detailed understanding of cluster’s structural, electronic, optical, and magnetic properties. Furthermore, several chemical, catalytic, and photocatalytic processes on clusters are understood on a molecular level, today. This exciting advancement was only possible by a parallel development and introduction of novel, state-‐ of-‐the-‐art methods, both in experiment and theory. In this talk recent examples of this research field are presented. 5 Corinna R. Hess Professor Technische Universität München Fachgebiet Bioanorganische Chemie Lichtenbergstr. 4 85747 Garching [email protected] Research interests coordination chemistry spectroscopy catalysis Presentation title Multi-‐cofactored Catalysts for Small Molecule Chemistry Abstract Research in our group is focused on the development of bio-‐inspired inorganic compounds as catalysts for small molecule chemistry, relevant for renewable energy and sustainable chemistry. Adopting a strategy from nature, we have generated a series of ‘multi-‐cofactored’ compounds for reactions that include H2production and O2 activation. Results of studies pertaining to the redox properties, electronic structures and reactivity of this group of compounds will be presented. 6 Thomas Michely Professor II. Physikalisches Institut Universität zu Köln Zülpicher Str. 77 50937 Köln, Germany [email protected]‐koeln.de Presentation title The backside of graphene – functionalization and new hybrid materials Abstract The ease by which the properties of graphene are affected through contact with other materials is one of its unique features and defines an integral part of its potential for applications. Through a combination of microscopy, spectroscopy and ab initio calculations it is found, that the substrate of epitaxial graphene itself as well as intercalation layers, created by the insertion of atoms under its backside, are efficient tools to change the electronic properties and the interaction of graphene with the environment on its frontside. This enables us not only to functionalize graphene as a template for patterned adsorption of atoms and molecules, but also to change the strength in ionic, van der Waals, and chemical binding of adsorbates to graphene. New reaction pathways can be observed, when the reactants are supplied by intercalation into the confined space in between graphene and its substrate. As an example, the formation of a new super-‐ dense hydroxyl/water phase under Gr on Ir(111) is demonstrated. With the rise of graphene, defect engineering in 2D-‐layer systems has become an emerging subject. We show here that for supported graphene, the substrate on its backside gives rise to new phenomena in defect creation and annealing. Interface channeling, vacancy cluster antidot lattice formation, and gas aggregation through ion irradiation of graphene will be addressed. 7 Harald Oberhofer Postdoctoral Fellow Technische Universität München Theoretische Chemie Lichtenbergstr. 4 85747 Garching, Germany [email protected] Research interest Energy Materials Theoretical Method development (Photo-‐)electrocatalysis Presentation title: First-‐Principles Based Multiscale Modelling in Materials, Energy and Catalysis Abstract In recent years, the contribution quantitative theoretical approaches can make in energy science and catalysis has become more and more apparent. Be it fundamental energy research, screening of new catalytic materials, or optimizing the efficiency of whole chemical reactors, each of these highly successful fields of theoretical research requires a whole set of methods ranging from the scale ofsingle atoms and electrons up to a full device or reactor. In my talk I will demonstrate such multi-‐ scale approaches on two examples of current energy research. First, I will describe the use of thermodynamic approaches for the discovery of optimal photo-‐electro-‐catalysts for sustainable hydrogen production. As a second example I will consider DFT based screening techniques to minimize energy losses in organic photovoltaic cells, focusing especially on efficient charge transport through the cell. 8 Lionel Santinacci Chargé de recherche Aix-‐Marseille Université CINaM – UMR 7325 Campus de Luminy – case 913 13288 Marseille cedex 09, France lionel.santinacci@univ-‐amu.fr Research interests Lionel Santinacci works on electrochemically grown one-‐dimensional nanostructures such as TiO2 nanotubes and nanoporous Al2O3 membranes. These nanostructures are then functionalized by electrochemical deposition or by Atomic Layer Deposition (ALD) for energy production and storage electrocatalysis, photocatalysis, photovoltaics, batteries, Capacitors). Presentation title Functional one-‐dimensional nanostructures : combination of anodic oxidation with atomic layer deposition Abstract Anodic oxidation has been used for a longtime as a way to passivate metallic electrodes to prevent corrosion. It is the discovery of self-‐ordered nanoporous alumina membranes reported in 1995 that has revealed its potential use for surface nanostructuring. Later, the anodic growth of TiO2 nanotubes (TiO2-‐nt) has considerably widened the field of applications of such approach since TiO2 exhibits many valuable properties. It is now possible to use other metals or alloys to grow porous or tubular oxidized nanostructures. However to further improve the properties of such electrodes, it is necessary to functionalize their surface with other materials of interest. Among the various thin film deposition methods, Electrochemical Deposition (ED) and Atomic Layer Deposition (ALD) have shown a great ability to conformally coat porous structures exhibiting a high aspect ratio. The main advantages of ALD over ED is that it can be carried out onto non-‐conductive materials, it allows an accurate control of the thickness and it is usually more direct to grow oxides or nitrides. We present, here, three examples of nanostructured electrodes fabricated using anodic oxidation of Al and Ti in combination with ALD of active materials. The targeted applications are in the fields of electrocatalysis, Li-‐ion microbatteries and photoelectrochemical water splitting. 9 Dr. Florian F. Schweinberger Staff Scientist/Scientific Coordinator Technische Universität München Catalysis Research Center Lichtenbergstraße 4 85747 Garching, Germany [email protected] Research interests Heterogeneous model catalysis/Cluster science Reactivity and selectivity of cluster catalysts under UHV and applied ambient conditions Presentation title Introduction into m2gsn Abstract The talk will give a short overview on the ‘munich marseille graduate school of nano science’ (m2gsn) program. Beside the technical details, in particular of the master program, also the challenges and opportunities that a bilingual program offers for all participants, from students, administration, teachers and future employers will be stressed. 10 Jean-‐Marc Themlin Professor Aix-‐Marseille Université IM2NP – UMR 7334 Avenue Escadrille Normandie Niemen -‐ Case 142 13397 Marseille Cedex 20, France jean-‐marc.themlin@univ-‐amu.fr Research interests Electronic structure of surfaces, inverse photoemission, graphene and graphene-‐like materials, silicon carbide surfaces Presentation title Electronic properties of 2D systems Abstract Linked to the versatility of the Si-‐C bond, the Si-‐termination of hexagonal silicon carbide offers a fantastic playground to tailor two-‐dimensional C-‐based nano-‐materials with contrasted electronic properties. We present a selection of some recent experimental results aimed at characterizing and manipulating these C-‐based 2D nano-‐materials on top of 6H-‐SiC(0001), primarily using hydrogenation or H-‐intercalation [1] at various substrate temperatures. The electronic structure of the (6√3x6√3)R30° reconstruction of 6H-‐SiC(0001), the so-‐called buffer-‐ layer graphene (BLG) is first investigated using LEED, AES, and Angle-‐Resolved Inverse Photoemission Spectroscopy (ARIPES). In particular, we focus on the recently disputed existence of a significant fraction of remaining dangling bonds (DB) under the BLG, associated with unsaturated Si atoms of the first C-‐Si bilayer. In inverse photoemission spectra, these DB give rise to a peak around 1 eV above the Fermi level, associated with the upper single-‐electron states of a Mott-‐Hubbard insulator, which vanishes upon hydrogenation and/or H-‐intercalation. A room temperature exposition to activated hydrogen atoms already quenches the DB-‐derived peak and causes an upward band bending of the SiC substrate. This is puzzling since it is known that the H atoms do not reach the Si atoms underneath the BLG but remain covalently bound on top of the BLG. This indirect passivation of the DB is attributed to the formation of additional Si-‐C bonds, which also cause an increased n-‐type doping of the H-‐BLG. With a graphane-‐like electronic structure, the latter is an insulator with a large bandgap. A high-‐temperature hydrogenation (substrate held at T>700°C ) transforms the BLG into a quasi free-‐ standing graphene monolayer (QFSG) on a hydrogenated SiC bilayer which is close to a H-‐ (√3x√3)R30°-‐SiC reconstruction. In this case, the remaining DB are directly passivated by the H atoms which are able to diffuse through the BLG. H atoms are also able to substitute C in anchoring Si-‐CBLG bonds, leading to an undoped QFSG layer separated from the SiC substrate by H-‐intercalation. [1] Y.-‐P. Lin, Y. Ksari, and J.-‐M. Themlin, Hydrogenation of the buffer-‐layer graphene on 6H-‐SiC(0001) : A possible route for the engineering of graphene-‐based devices Nano Research 8 (3), 839 (2015), DOI 10.1007/s12274-‐014-‐0566-‐0 11 Olivier Thomas Professor Aix-‐Marseille Université IM2NP – UMR 7334 Avenue Escadrille Normandie Niemen -‐ Case 142 13397 Marseille Cedex 20, France olivier.thomas@univ-‐amu.fr Research interests Mechanical properties in small dimensions (elasticity, plasticity), X-‐ray scattering – synchrotron radiation Presentation title Mechanical properties of nanostructures Abstract Mechanical properties of materials (elastic modulus, yield stress, fracture strength) are highly dependent on the sample size. Recent studies have highly benefited from in situ X-‐ray diffraction experiments during mechanical tests performed on small objects. For example micro-‐Laue experiments performed on synchrotron beamlines has been very useful to study the first stages of plastic deformation in micron-‐sized fcc metal pillars. More recently Coherent X-‐ray Diffraction (CXD) has been shown to be a powerful tool to map elastic strains in nanostructures as well as very sensitive to phase shifting defects such as dislocations. This presentation will focus on the interesting opportunities offered by the combination of nanobeam X-‐ray diffraction and AFM mechanical testing for investigating the mechanical properties of nano-‐objects. This work is funded by ANR under project MECANIX ANR-‐11-‐BS10-‐01401 12 Klaus Wandelt Professor emeritus Institute of Physical and Theoretical Chemistry, University of Bonn, Germany Institute of Experimental Physics, University of Wroclav, Polen Department of Physics, University of Rome Tor Vergata, Italy k.wandelt@uni-‐bonn.de Presentation title Electrochemical Surface Science Abstract Processes at solid/liquid interfaces are playing an increasing role in modern technologies like energy conversion and storage (fuel cells, batteries), material science (thin film devices), nanotechnology (e.g. "Damascene process"), medicine (biocompatibility), etc. Fundamental investigations of these "buried" interfaces -‐ compared to surfaces in ultrahigh vacuum -‐ are, however, impeded by the restriction to photon-‐ and probe based experimental techniques only. Based on a combination of in situ (cyclic voltammetry, scanning tunneling microscopy, IR-‐and UV spectroscopy, X-‐ray diffraction) as well as ex situ methods (low energy electron diffraction, synchrotron X-‐ray-‐ and Auger electron spectroscopy, ion scattering) properties and processes at metal singly crystal electrode surfaces, in particular Cu(111), Cu(100) and Cu(110), in electrolytic solutions have been investigated and will be discussed in this presentation. Using selected examples, like the specific adsorption of anions (chloride, bromide, iodide, sulfide, sulfate), the 2D phase formation due to electrochemical deposition (deposition of copper on Au(111)) and surface compound formation (Cu-‐iodide), and the self-‐assembly of organic molecules (viologens, porphyrins), the state-‐of-‐the-‐art of "electrochemical surface science" will be delineated. 13 Veronika Zinth Postdoctoral researcher MLZ (Heinz Maier-‐Leibnitz Zentrum) Technische Universität München Lichtenbergstraße 4 85747 Garching, Germany [email protected] Research interests Neutron methods in material research Li-‐ion batteries Diffraction Presentation title Neutron methods in battery research Abstract A broad range of neutron techniques that can be used for nano and material research is available at MLZ (Heinz Maier-‐Leibnitz Zentrum). Examples are small angle neutron scattering, neutron reflectometry and neutron diffraction. Neutron diffraction allows in situ investigation of Li plating, the -‐ unwanted -‐ deposition of metallic lithium on the graphite anode of a Li-‐ion battery during fast charge or charge at low temperatures. It can be shown that at -‐20°C, Li comprises about 19% of cell capacity and is mostly reversible. In the future, a better understanding of Li plating could help to develop charging protocols for Li-‐ion batteries that avoid it. 14 Campus Luminy Transportation From Luminy to Marseille center Bus 21 (Métro Castellane) or JET (Métro Rond Point du Prado) every 7 min. until 21:15 h Then M1 to the Vieux Port From Marseille Vieux Port to Luminy Métro 1 to Castellane then Bus 21 (Luminy) every 7-‐10 min. until 21:20 h Bus 521 (Luminy) 21:31, 22:06, 22:31, 22:56, 23:31, 23:51, 00:16, 00:51 The 521 may depart a couple of minutes earlier then indicated. 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