First International Training School on NanoAlloys (ISNA)

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1 First International Training School on NanoAlloys (ISNA) Grand Hotel Golf, Tirrenia, Pisa 20 May - 26 May 2012 Organized by Alessandro Fortunelli (CNR-IPCF)

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3 Focus Metallic nanoalloys, namely multicomponent metallic particles less than 100 nm in diameter, have gained increasing attention in recent years due to their scientific and technological importance, with applications ranging from catalysis to electronics and optical and magnetic devices. They are expected and have often been found to present unique properties, which differ from those of singlecomponent particles because the composition and atomic ordering of the aggregates, in addition to size, come strongly into play in determining their behaviour, while the nanoscale régime assures them electronic and structural degrees of freedom which are unknown to bulk alloys. These systems are the object of a concerted effort at the European level within the COST (European Cooperation in Science and Technology) Programme of the European Science Foundation (similar networks are being promoted in USA and elsewhere): the COST Action MP0903 NANOALLOY Nanoalloys as Advanced Materials: from Structure to Properties and Applications ( The International Training School on NanoAlloys (ISNA) is organized within this Action. The ISNA School is the first international school on nanoalloys. Its aim is to provide participants (from early PhD students to experienced researchers) with an overview of the general concepts, tools and background information on the topic of nanoscale alloys from both the experimental and theoretical/computational points of view. Collaboration and synergy between experimental and theoretical studies is believed to be crucial for the future development of this exciting field, and the main aim of the School is to create (and spread) a common language and knowledge ground which allow researchers to exchange and share their results within the COST Action and in perspective in future developments of the field throughout Europe and beyond. The School extends for one full week and comprises an intensive set of lectures (from Monday morning to Friday morning) followed by two parallel hands-on sessions on Friday afternoon with practical demonstrations (one with an experimental and one with a theoretical/computational focus). The lectures cover the subjects of the four working groups of the MP0903 Action: WG1 Structure; WG2 Synthesis; WG3 Catalysis; WG4 Optics & Magnetism, with the last one split in Optics and Magnetism. Experimental and theoretical/computational techniques, from the basic to the most advanced ones, are illustrated by top-level researchers in the field. This coordinated effort is interdisciplinary, since the study of nanoalloys and their assemblies draws on expertise in physics, chemistry and materials science. Participants from European countries belonging to the Action are financially supported, but the School is open to interested external participants. Acknowledgements This event is organized within the COST Action MP0903 NANOALLOY of the European Science Foundation (ESF). We are very grateful to the Management Committee of the Action for unanimously approving this initiative and in particular to the Action Chair, Dr. Riccardo Ferrando, who has generously supported this event at both financial and scientific levels. Disclaimer: Any views, findings, conclusions or recommendation hereby expressed are purely those of the authors and may not be regarded as representing those of the the European Science Foundation, or its personnell. Cover photo by Randy Brophy (randy.brophy@gmail.com), used with permission: pavement of the Baptistry altar in Pisa.

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5 First International Training School on NanoAlloys COST MP0903 NANOALLOYS Pisa May 2012 Program 20 May Sunday 12:00-24:00 Arrival 20:30- Dinner 21 May Monday 8:50-9:00 Opening 9:00-10:00 Experimental synthesis of nanoalloys - I Jiye Fang 10:00-11:00 Experimental studies of magnetic properties of nanoalloys - I Harald Brune 11:.00-11:30 Coffee Break 11:30-12:30 Experimental synthesis of nanoalloys - II Jiye Fang 12:30-13:30 Experimental studies of magnetic properties of nanoalloys - II Harald Brune 13:30-15:00 Lunch Break 15:00-16:00 Theoretical studies of magnetic properties of nanoalloys - I Peter Entel 16:00-17:00 Experimental studies of magnetic properties of nanoalloys - III Harald Brune 17:00-17:30 Coffee Break 17:30-19:30 Poster Session A 20:00- Dinner

6 22 May Tuesday 9:00-10:00 Theory of structure, thermodynamics and growth of nanoalloys - I Riccardo Ferrando 10:00-11:00 Experimental synthesis of nanoalloys - III Jiye Fang 11:.00-11:30 Coffee Break 11:30-12:30 Theoretical studies of magnetic properties of nanoalloys - II Peter Entel 12:30-13:30 Experimental synthesis of nanoalloys - IV Jiye Fang 13:30-15:00 Lunch Break 15:00-16:00 Theory of structure, thermodynamics and growth of nanoalloys - II Riccardo Ferrando 16:00-17:00 Theoretical studies of magnetic properties of nanoalloys - III Peter Entel 17:00-17:30 Coffee Break 17:30-19:30 Poster Session B 20:00- Dinner 23 May Wednesday 9:00-10:00 Experimental determination of the structure of nanoalloys - I Ziyou Li 10:00-11:00 Theory of structure, thermodynamics and growth of nanoalloys - III Riccardo Ferrando 11:.00-11:30 Coffee Break 11:30-12:30 Experimental studies of catalysis by nanoalloys - I Catherine Louis 12:30-13:30 First-principles prediction of structure and catalysis by nanoalloys - I Alessandro Fortunelli 13:30-15:00 Lunch Break

7 15:00-16:00 Experimental determination of the structure of nanoalloys - II Ziyou Li 16:00-17:00 Theory of structure, thermodynamics and growth of nanoalloys - IV Riccardo Ferrando 17:00-17:30 Coffee Break 17:30-18:30 First-principles prediction of structure and catalysis by nanoalloys - II Alessandro Fortunelli 20:00- Dinner 24 May Thursday 9:00-10:00 Experimental studies of catalysis by nanoalloys - II Catherine Louis 10:00-11:00 First-principles prediction of structure and catalysis by nanoalloys - III Alessandro Fortunelli 11:.00-11:30 Coffee Break 11:30-12:30 Experimental studies of catalysis by nanoalloys - III Catherine Louis 12:30-13:30 First-principles prediction of structure and catalysis by nanoalloys - IV Alessandro Fortunelli 13:30-15:00 Lunch Break 15:00-16:00 Experimental studies of optical properties of nanoalloys - I Michel Pellarin 16:00-17:00 Theoretical studies of optical properties of nanoalloys - I Mauro Stener 17:00-17:30 Coffee Break 17:30-18:30 Experimental studies of optical properties of nanoalloys - II Michel Pellarin 20:00- Dinner

8 25 May Friday 9:00-10:00 Experimental studies of optical properties of nanoalloys - III Michel Pellarin 10:00-11:00 Theoretical studies of optical properties of nanoalloys - II Mauro Stener 11:.00-11:30 Coffee Break 11:30-12:00 Experimental determination of the structure of nanoalloys - III Ziyou Li 12:30-13:30 Theoretical studies of optical properties of nanoalloys - III Mauro Stener 13:30-14:30 Lunch Break 15:00-19:30 Hands-On Session 20:30- Dinner 09:00- Departure 26 May Saturday

9 Lecturers Harald Brune EPFL, Lausanne (CH) Peter Entel Duisburg University, Duisburg (DE) Jiye Fang Binghamton University, Binghamton - NY (USA) Riccardo Ferrando Genoa University, Genoa (IT) Alessandro Fortunelli CNR-IPCF, Pisa (IT) Ziyou Li, Birmingham University, Birmingham (UK) Catherine Louis UPMC, Paris (FR) Michel Pellarin Lyon University, Lyon (FR) Mauro Stener Trieste University, Trieste (IT)

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11 LIST OF PARTICIPANTS AHMED Mohammad Afraz University of Birmingham, UK ALAGONA Giuliano CNR-IPCF, Pisa, Italy ALEKSANDROV Hristiyan University of Barcelona - Spain maa699@bham.ac.uk alagona@ipcf.cnr.it hristiyan_80@abv.bg ALTMANN Lena lena.altmann@uni-bremen.de University of Bremen (Institut of Applied and Physical Chemistry) - Germany ATANASOV Ivailo University of Birmingham - UK AYVALI Tugce CNRS-LCC - France BARCARO Giovanni CNR-IPCF, Pisa - Italy BELLO Valentina Università di Padova - Italy BERTOLDO Monica IPCF-CNR, Pisa - Italy BERTOLUCCI Elisa DCCI Pisa University Italy BRODACKA Sylwia Jagiellonian University in Krakow - Poland BRODERSEN Simon Technical University of Denmark BRONCO Simona IPCF-CNR, Pisa - Italy BRUMA Alina University of Birmingham - UK CALANDRA Pietro CNR-IPCF, Messina - Italy LOUIS Catherine CNRS-UPMC, Paris - France CRISTOFORETTI Gabriele CNR-INO, Pisa - Italy CIRISANO Francesca University of Genoa - Italy i.atanasov@bham.ac.uk ayvali_tugce@yahoo.com giovanni.barcaro@ipcf.cnr.it valentina.bello@unipd.it monica.bertoldo@ipcf.cnr.it bertolucci.elisa@gmail.com sylwia.brodacka@uj.edu.pl simonbrodersen@fysik.dtu.dk simona.bronco@ipcf.cnr.it AXB960@bham.ac.uk calandra@me.cnr.it catherine.louis@upmc.fr gabriele.cristoforetti@ino.it fra88ciri@msn.com

12 DURANTE Nicola CNR-IPCF, Pisa, Italy FADAIE Amir Middle East Technical University - Turkey FANG Jiye (James) State University of New York at Binghamton - USA FARKAS Arnold University of Szeged - Hungary FERRANDO Riccardo Dipartimento di Fisica dell'università di Genova - Italy FORTUNELLI Alessandro CNR-IPCF, Pisa - Italy GAREL Mathieu University of Poitiers - France GARIP Ali Kemal Zonguldak Karaelmas University, Department of Physics - Turkey GHIO Caterina CNR-IPCF, Pisa, Italy GOKKAYA Ekin Gazi University - Turkey GRILLET Nadia Department of Physics and Astronomy - New Zealand BRUNE Harald Ecole Polytechnique Fédérale de Lausanne - Switzerland HEARD Christopher University of Birmingham - UK durante@ipcf.cnr.it amir.fadaie@metu.edu.tr jfang@binghamton.edu arnold.farkas@chem.u-szeged.hu ferrando@fisica.unige.it alessandro.fortunelli@cnr.it mathieu.garel@univ-poitiers.fr alikemalgarip@hotmail.com ghio@ipcf.cnr.it gokkayaekin@gmail.com nadia.grillet@canterbury.ac.nz harald.brune@epfl.ch cjh085@bham.ac.uk ION ALEXANDRU Milea milea_alexandru@icf.ro Institul de Chimie-Fizica "Ilie Murgulescu" of the Romanian Academy - Romania KANA Tomas Institute of Physics of Materials, Academy of Sciences of the Czech Rep. KIRADZHIYSKA Denitsa Plovdiv University - Bulgaria KOZLOV Sergey Universidad de Barcelona - Spain LEHOUX Anais Laboratoire de Chimie-Physique - France LI Zhe Department of Physics and Astronomy - Belgium LI Ziyou University of Birmingham - UK kana@ipm.cz deniinosht@abv.bg sergey.m.kozlov@ub.edu anais.lehoux@u-psud.fr zhe.li@fys.kuleuven.be Z.Li@bham.ac.uk

13 LOPES Aurélie Aix-Marseille Université, Cinam CNRS UMR France MANKAD Venu DEPARTMENT OF PHYSICS, Bhavnagar University, India MCNAMARA Karrina Materials and Surface Science Institute, University of Limerick - Ireland MECH Krzysztof University of Science and Technology in Cracow - Poland PELLARIN Michel University Lyon 1- CNRS - France MILCHEVA Nikolina Plovdiv University - Bulgaria MOKKATH Junais University of Kassel - Germany NEGREIROS RIBEIRO Fabio CNR-IPCF, Pisa - Italy NICOLICESCU Claudiu University of Crakow, - Poland OLMOS ASAR Jimena Anahí Faculty of Chemical Science, National University of Córdoba - Argentina PANIZON Emanuele Department of Physics - Italy PAVAN Luca King's College London - Department of Physics - UK ENTEL Peter Faculty of Physics, University of Duisburg-Essen - Germany PELLEGRINI Giovanni Università di Padova - Italy PETROVIC Suzana Institute of Nuclear Science Vinca - Serbia PIAZZA Daniele DCCI - University of Genoa - Italy PITZALIS Emanuela ICCOM-CNR, Pisa - Italy PIGOZZI Giancarlo Laboratory for Corrosion and Materials Integrity, EMPA - Switzerland RAJAGOPAL DASHINAMOORTHY Eithiraj Donostia International Physics Centre - Spain RAPALLO Arnaldo CNR-ISMAC, Milano - Italy lopes@cinam.univ-mrs.fr venu.mankad@gmail.com Karrina.McNamara@ul.ie kmech@agh.edu.pl pellarin@lasim.univ-lyon1.fr milcheva@uni-plovdiv.bg mokkath@uni-kassel.de elbuesta@yahoo.com.br nicolicescu_claudiu@yahoo.com jimenaolmos@gmail.com lolipanizon@gmail.com luca.pavan@kcl.ac.uk entel@thp.uni-duisburg.de giovanni.pellegrini@unipd.it spetro@vinca.rs Daniele.Piazza@unige.it pitzalis@pi.iccom.cnr.it giancarlo.pigozzi@empa.ch eithiraj1983@gmail.com a.rapallo@ismac.cnr.it

14 RASPOLLI GALLETTI Anna Maria DCCI Pisa University Italy SEMENTA Luca CNR-IPCF, Pisa - Italy SHEIKH ABBASI Fatemeh Zahra Institute for theoretical physics, University of Kassel SLOAN Calum University of Birmingham - UK roxy@dcci.unipi.it luca.sementa@ipcf.cnr.it zahra.abbasi@physik.uni-kassel.de cxs129@bham.ac.uk STENER Mauro stener@univ.trieste.it Dipartimento di Scienze Chimiche e Farmaceutiche - Universita' di Trieste - Italy STREMSKI Jordan Paisiy Hilendarski Plovdiv University - Bulgaria SZÖCS Daniel VSM - Belgium stremski@abv.bg daniel.szocs@fys.kuleuven.be TAPAN Niyazi Alper atapan@gazi.edu.tr Gazi University, Faculty of Engineering, Chemical Engineering Department - Turkey TAHERKHANI Farid CNR-IPCF, Pisa - Italy and Razi University, Iran TOGNONI Elisabetta CNR-INO, Pisa - Italy YALCIN Mahsuni Middle East Technical University - Turkey YILDIRIM Mehmet Middle East Technical University - Turkey ZHU Beien Institut Charles Gerhardt - France ZOSIAK Łukasz Jagiellonian University - Poland f.taherkhani@razi.ac.ir elisabetta.tognoni@ino.it mhsnylcnmetu@gmail.com ymehmet@metu.edu.tr uhzyzarc@gmail.com lukasz.zosiak@uj.edu.pl

15 Posters P 1 - ALEKSANDROV Hristiyan Realistic models of Pt and Pd nanoparticles for H storage P 2 - ALTMANN Lena Influence of organic ligands on Pt and PtSn nanoparticles for the selective hydrogenation of acetylene to ethylene P 3 - ATANASOV Ivaylo The effect of surface and interface energies to the core-shell to Janus transition in Cu-Ag clusters P 4 - AYVALI Tugce Synthesis, Organization and Dynamics of Rupt/Dppb Nanoparticles P 5 - BARCARO Giovanni Patchy Multishell Segregation in Pd Pt Alloy Nanoparticles P 6 - BRODERSEN Simon Semi-Empirical Potentials for Platinum-Yttrium Nanoparticles P 7 - FADAIE Amir & YALCIN Mahsuni Modeling and Simulation of Structure-Property Correlation for Metallic and Intermetallic Glass Nano-alloys P 8 - GAREL Mathieu Tailoring self-organized FePt nanowires produced by glancing-angle ion-beam deposition P 9 - GÖKKAYA Ekin Electro-oxidation behaviour of Pt based Ceria Composite Nano-Rods P 10 - GRILLET Nadia Bimetallic clusters: structure and time evolution P 11 - KOZLOV Sergey Arrangement of components in PdZn surface nanoalloy films on Pd(111) modified by CO adsorption P 12 - LEHOUX Anais Radiolytic synthesis of porous bimetallic Pd-Pt nanostructures by a templating approach P 13 - LOPES Aurélie Ordering and segregation in CoPt nanoparticles using Tight Binding Ising Model

16 P 14 - MILCHEVA Nikolina Precipitation of small oxide and metallic particles P 15 - MOKKATH Junais Habeeb Magnetic anisotropy energy in 3d transition metal clusters. P 16 - NEGREIROS RIBEIRO Fabio CO2 hydrogenation by Ni-Cu trimers P 17 - NICOLICESCU Claudiu Research on Ag-Cu nano alloys processing by Mechanical Alloying route P 18 - OLMOS ASAR Jimena Anahí The effect of ligand adsorption on the structure of metal nanoparticles P 19 - PAVAN Luca Metadynamics for Metallic Nanoclusters P 20 - PETROVIC Suzana Synthesis of Ti-based nanoalloy in multilayer structure by laser irradiation P 21 - PIGOZZI Giancarlo Magnetization study of Ni- and Co-base intermetallic core-shell nanoparticles P 22 - SEMENTA Luca Vacancy Diffusion in Ag-Pt Nanoclusters P 23 - SZÖCS Daniel Ordered gold and FePt nanoparticle arrays created by the micellar method P 24 - TAPAN Niyazi Alper Determination of electrocatalytic activity of PtRu/C/CeO2-x P 25 - BRUMA Alina Single Pd doping in Au25 clusters - a study based on STEM and DFT calculations