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Edited by Alfredo Tlahuice, Dulce Aguilar, Luis Pérez, Cecilia Noguez, Gabriela Díaz, and Ignacio L. Garzón Copyright: Instituto de Física, Universidad Nacional Autónoma de México Preface This Book of Abstracts contains a compilation of contributions presented at the XV International Symposium on Small Clusters and Inorganic Clus- ters – ISSPIC XV, held at Oaxaca City, Mexico on September 19-24, 2010. Contributions include plenary, progress reports (invited), and selected (hot topics) talks, as well as poster presentations. The scientific program also includes two Memorial talks in honor to Professors Tomotsu Kondow and Eck- erhard Recknagel, who were distinguished scientists in the field of Cluster and Nanoparticle Science. All the talks (plenary, invited and hot topics) are arranged chronologically according to the Program. The poster contributions have been classified into different topics, listed below. Topics A-01 to A-07 belong to Poster Session A, and topics B-01 to B-06 to Poster Session B. A code has been assigned to each poster abstract (for example, Poster B-03- 10 is the tenth poster within topic B-03). An author index is provided at the end of the Book. We acknowledge support from Consejo Nacional de Cien- cia y Teconología (CONACyT-Mexico) and Universidad Nacional Autónoma de México (UNAM) for the edition of this Book of Abstracts. A-01. Structure and thermodynamics of clusters and nanolloys A-02. Clusters on surfaces A-03. Carbon nanostructures A-04. Nanoparticles in biology and medicine A-05. Spectroscopy and dynamics with short laser pulses A-06. Nanoparticles in environmental science A-07. Molecular electronics and transport B-01. Protected clusters, nanocrystals, and self assembly B-02. Electronic structure and quantum effects in nanostructures B-03. Cluster reactivity and nanocatalysis B-04. Nanomagnetism B-05. Optical properties B-06. Technological applications 3 International Advisory Committee Members Alonso, J.A., University of Valladolid, Spain Bonačić-Koutecký, V., Humbolt-University, Berlin, Germany Brechignac, C., CNRS, Orsay, France Broyer, M., University Claude Bernard, Lyon, France Campbell, E.E.B., Göteborg University, Sweden Castlemann, A.W., Pennsylvania State University, University Park, USA Chekmarev, S.F., Institute of Thermophysics, Novosibirsk, Russia Cheshnovsky, O., Tel Aviv University, Israel Garzón, I. L., National Autonomous University of Mexico, Mexico Haberland, H., University of Freiburg, Germany Haruta, M., Tokio Metropolitan University, Japan Henry, C., University of Marseille, Marseille, France Jarrold, M., Indiana University, Bloomington, USA Kappes, M. M., University of Karlsruhe, Germany Kaya, K., RIKEN, Saitama, Japan Landman, U., Georgia Institute of Technology, Atlanta, USA Lievens, P., Catholic University Leuven, Belgium Märk, T.D., Leopold Franzen University, Innsbruck, Austria Manninen, M., University of Jyvaskyla, Finland Milani, P., University of Milano, Italy Palmer, R.E., University of Birmingham, UK Vallée, F., University of Bordeaux 1, France Wang, G.H., Nanjing University, China Wang, L.S., Brown University, Providence, USA Wöste, L., Free University Berlin, Germany Emeritus Members Berry, R.S., University of Chicago, USA Buttet, J., Ecole Polytechnique Federale, Lausanne, Switzerland Friedel, J., University Paris-Sud, France Gillet, M.F., University Paul Cezanne, Aix Marseille, France Hensel, F., Philips University, Marburg, Germany Jortner, J., Tel Aviv University, Israel Martin, T.P., Max Planck Institute, Stuttgart, Germany Monot, R., Ecole Polytechnique Federale, Lausanne, Switzerland Rosen, A. , Göteborg University, Sweden Sugano, S., University of Tokyo, Japan Local organizing committee Chairman Garzón, Ignacio L., National Autonomous University of Mexico Vicechairpersons Díaz, Gabriela, National Autonomous University of Mexico Noguez, Cecilia, National Autonomous University of Mexico Conference secretary Pérez, Luis A., National Autonomous University of Mexico Members Tlahuice, Alfredo, National Autonomous University of Mexico Aguilar, Dulce, National Autonomous University of Mexico Macías, Gustavo, National Autonomous University of Mexico Monday September 20 Plenary 1 H.-J. Freund From atoms to clusters supported on oxide surfaces Invited 1 Exotic structures of oxide-supported metallic R. Ferrando nanoparticles Invited 2 Small gap effects in SERS: going beyond G. C. Schatz conventional classical electrodynamics Oral 1 Optical absorption and fluorescence spectra of W. Harbich small size selected selected neutral noble metal clusters Oral2 Monitoring of the plasmon resonance of gold Y. Borensztein nanoparticles in Au/TiO2 catalyst under oxidative and reducing atmospheres Oral 3 Simulation of palladium clusters supported on M. J. López graphene and hydrogen adsorption/dissociation in those clusters Oral 4 XMCD spectroscopy on mass-selected transition M. Neeb metal clusters using a Penning ion trap Invited 3 Controlled strong-field laser ionization K. -H. Meiwes-Broer Invited 4 Ultrafast Spectroscopy of Single Metal F. Vallée Nanoparticles Oral 5 Photo-induced processes in metallic clusters and A. Korol fullerenes From atoms to clusters supported on oxide surfaces Hans-Joachim Freund1 1Department of Chemical Physics, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Germany [email protected] Metal-atoms, -dimers, -chains, -two-dimensional and three-dimensional metal nanoclusters are prepared by physical vapor deposition an oxide supports and investigated with respect to their electronic properties as well as their reactivity applying a variety of experimental techniques including local scanning tunneling microscopy and spectroscopy as well as ensemble averaging techniques such as Infrared-Fourier-Transform, electron spin resonance spectroscopy and electron spectroscopies. Thin oxide films grown epitaxially on appropriate metal metal alloy supports are used to either model a bulk oxide or to provide a support where the deposited metal in- teracts with the underlying metal-oxide interface. The latter system may exhibit designable properties as far as their electronic structure and morphology is concerned. The experimental findings are compared with results from calculations using a variety of approaches including local cluster and slab calculations from different collaborating theory groups. 6 Exotic structures of oxide-supported metallic nanoparticles R. Ferrando Dipartimento di Fisica, Università di Genova, Via Dodecaneso 33, 16146, Genova, Italy Oxide-supported nanoparticles are widely studied for their applications in catalysis and magnetism. The computational prediction of their low-energy structures is a challenging task, due to the great variety of possible structural motifs. Here we show that the interplay between metal-metal and metal-oxide interactions can lead to the stabilization of exotic geometries, which, in some cases, have no counterpart in gas-phase nanoparticles. Three metallic systems adsorbed on MgO(001) are considered: pure Ni and Au nanoparticles and PtCo nanoparticles. The most stable structures range from hcp nanodots for nickel [1], to leaflets and empty cages for gold [2,3], to polyicosahedra for PtCo [4]. [1] R. Ferrando, G. Rossi, F. Nita, G. Barcaro, A. Fortunelli, ACS Nano 2, 1849 (2008) [2] R. Ferrando, G. Barcaro and A. Fortunelli, Phys. Rev. Lett. 102, 216102 (2009) [3] R. Ferrando, G. Barcaro and A. Fortunelli, in preparation [4] G. Barcaro, R. Ferrando, A. Fortunelli, G. Rossi, J. Phys. Chem. Lett. 1, 111 (2010) 7 Small gap effects in SERS: going beyond conventional classical electrodynamics George C. Schatz Northwestern University This talk will describe my recent collaborative work with Richard Van Duyne, Chad Mirkin and others concerned with the role of small gaps between nanoparticles in SERS. The talk begins with a presentation of recent experimental results and related theoretical simulations which show that SERS is often dominated by small gaps where there is little relationship between the extinction properties of the nanoparticle clusters and the corresponding SERS excitation spectra. In some cases it is possible to use classical electrodynamics to provide a quantitative interpretation of the observed behavior, however for <1 nm gaps or for fused particles, classical electrodynamics breaks down and it is necessary to develop theories which go beyond this in some sense. Two approaches are described: (1) a top-down theory in which nonlocal dielectric functions are included into classical electrodynamics, thereby incorporating quantum effects in some sense, and (2) a bottom-up theory in which real-time time-dependent density functional theory is combined with classical electrodynamics to describe portions of the structure, such as the junction, with quantum mechanics, and then the rest with classical electrodynamics. Predictions of both theories for junction structures are described. 8 9 10 11 XMCD spectroscopy on mass-selected transition metal clusters using a Penning ion trap S. Peredkov1, S. Peters1, A. Savci1, M. Neeb1, W. Eberhardt1, H. Kampschulte2, J. Meyer2, B. Hofferberth2, F. Menges2, G. Niedner-Schatteburg2 1Helmholtz-Zentrum Berlin für Materialien und Energie, Wilhelm-Conrad-Röntgen-Campus Adlershof, Elektronenspeicherring BESSY II, Albert-Einstein-Straße 15, 12489 Berlin, Germany 2Fachbereich Chemie und Forschungszentrum OPTIMAS, TU Kaiserslautern, 67663 Kaiserslautern, Germany [email protected] An experimental setup has been installed at the BESSY II synchrotron storage ring which

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