Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin 15th Meeting of the Fachbeirat Berlin, 22nd - 24th November 2009 Reports Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin 15th Meeting of the Fachbeirat Berlin, 22nd – 24th November 2009 Reports Members of the Fachbeirat 2009 Prof. Dr. Charles T. Campbell Prof. Dr. John L. Hudson Department of Chemistry Department of Chemical Engineering University of Washington University of Virginia Box 35-1700 102 Engineers’ Way, P.O. Box 400741 Seattle, WA 98195-1700, USA Charlottesville, VA 22904-4741, USA Tel. +1-206-616-6085 Tel. +1-434-924-7778 Fax +1-206-616-6250 Fax +1-434-982-2658 [email protected] [email protected] Prof. Dr. Roberto Car Prof. Dr. Graham J. Hutchings Department of Chemistry Department of Chemistry 213 Frick Lab. Cardiff University Princeton University Box 912 Princeton, NJ 08544-1009, USA Cardiff CF10 3TB, UK Tel. +1-609-258-2534 Tel. +44-(0)29-2087-4023 Fax +1-609-258-6746 Fax +44-(0)29-2087-4030 [email protected] [email protected] Prof. Dr. Franz Himpsel Prof. Dr. Enrique Iglesia Department of Physics Department of Chemical Engineering University of Wisconsin Madison University of California at Berkeley 1150 University Avenue 201 Gilman Hall Madison, WI 53706-1390, USA Berkeley, CA 94720, USA Tel. +1-608-263-5590, 001-608-877-2000 Tel. +1-510-642-9673 Fax +1-608-265-2334 Fax +1-510-642-4778 [email protected] [email protected] Prof. Dr. Wilson Ho Prof. Dr. Bengt Kasemo Department of Physics and Astronomy Department of Applied Physics and Department of Chemistry Chalmers University of Technology 4129 Frederick Reines Hall Fysikgården 4 University of California, Irvine 412 96 Göteborg, Sweden Irvine, CA 92697-4575, USA Tel. +46-31-772-3370 Tel. +1-949-824-5234 Fax +46-31-772-3134 Fax +1-949-824-2174 [email protected] [email protected] Prof. Dr. Hans Lüth Prof. Dr. E. Joseph Nordgren Institut für Bio- und Nanosysteme Department of Physics (IBN1: Halbleiter-Nanoelektronik) Uppsala University Forschungszentrum Jülich GmbH Box 530 52425 Jülich, Germany 751 21 Uppsala, Sweden Tel. +49-2461-61-8700 Tel. +46-(0)18-471-3554 Fax +49-2461-61-2333 Fax +46-(0)18-471-3524 [email protected] [email protected] Prof. Dr. Daniel M. Neumark Prof. Dr. Johannes Pollmann Department of Chemistry, Fachbereich Physik University of California at Berkeley Institut für Festkörpertheorie Berkeley, CA 94720-1460, USA Westfälische Wilhelms-Universität Münster Tel. +1-510-642-3502 Wilhelm-Klemm-Str. 10 Fax +1-510-642-3635 48149 Münster, Germany [email protected] Tel. +49-251-83-36311 Fax +49-251-83-33669 [email protected] Prof. Dr. Risto Nieminen Prof. Dr. Thomas Rizzo COMP/ Laboratory of Physics Laboratoire de chimie physique moléculaire Helsinki University of Technology École Polytechnique Fédérale de Lausanne 02150 Espoo, Finland EPFL-SB–ISIC-LCPM Tel. +358-(0)9-451-3105 or -5744 CH H1 621, Station 6 Fax +358-(0)9-451-3116 1015 Lausanne, Switzerland [email protected] Tel. +41-21-693-3073 Fax +41-21-693-5170 [email protected] Contents Page Local Map 13 Organigram of the FHI 15 Report of the Executive Director 19 International Max Planck Research School (IMPRS) 35 Department of Inorganic Chemistry (AC) Director: R. Schlögl Staff List 47 Recent Developments 49 Publications 89 Invited Talks 109 Department of Chemical Physics (CP) Director: H.-J. Freund Staff List 121 Recent Developments 123 Publications 161 Invited Talks 175 Department of Molecular Physics (MP) Director: G. Meijer Staff List 189 Recent Developments 191 Publications 217 Invited Talks 229 Department of Physical Chemistry (PC) Director: M. Wolf Staff List 245 Recent Developments 247 Publications 279 Invited Talks 289 Theory Department (TH) Director: M. Scheffler Staff List 301 Recent Developments 303 Publications 329 Invited Talks 341 Independent Junior Research Group Head: K. Reuter Staff List 357 Recent Developments 359 Publications 371 Invited Talks 375 Notes 381 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin A Library,Abteilung Administration, Physikalische Chemie 110 M11 G e B DepartmentHaupteingang Physical – Telefonzentrale Chemistry lf H e fromHaber-Linde 07/2010 r M11 La ts 110 nd t o CB MainAbteilung Entrance, Molekülphysik Reception ra ltw ß H eg e D Haber-LindeAbteilung Molekülphysik, g e C, DBetriebsrat W r U- Bhf. Thielplatz F Ernst-Ruska-Bau:Department Molecular Physics e l Löhleinstraße Thiel- F h AbteilungDepartment Anorganische Inorganic Chemistry Chemie H e Thielplatz K U G,G H,Verwaltung, J Bibliothek 110 S F aargem ar ünder H SiteHörsaal, of the New Departments’ a M11 d Str ay PhysicalZentrales Chemistry Beschaffungswesen Laboratories aße H ße 16 - FHI Guest K Haber-Villa: SeminarSeminarraum Room tra Q Brümmers N House L WorkshopsElektroniklabor, Werkstätten P 14 74 M Richard-Willstätter-Haus: P U P 12 13 DepartmentAbteilung Theorie, Theory, SeminarSeminarraum Room 1 w s 0 eg ße N, P, Q au P tra Dahlem H M s k - DepartmentAbteilung Chemische Chemical PhysikPhysics Guest c 16-20 a T n Faradaypark - House r 19 S PP&B ITGruppe Services a 19 H 8 e 24 T DepartmentAbteilung Theorie, Theory, aß tr - K s rf JointGemeinsames Network NetzwerkzentrumCenter (GNZ) ne L h 17 U I S itto GuestGästehaus, House, Haustechnik Facility Management 29 H 4 e -6 ß a r t A s Fachbeirat Location k c P a Tennisplatz Van´t-Ho- P B n e r C J e a l P l H w P H eg a St D nstraße raß e 9 G FU Imbiss l- e F i FU Th Boltzman Henry-Ford-Bau 14 Research Departments of the Fritz Haber Institute Inorganic Chemical Physics Molecular Physics Physical Chemistry Theory Chemistry Robert Schlögl Hajo Freund Gerard Meijer Martin Wolf Matthias Scheffler Administration Staff Scientists Karsten Horn Malte Behrens Markus Heyde Knut Asmis Markus Eiswirth Volker Blum Human Resources Frank Girgsdies Helmut Kuhlenbeck Uwe Becker Christian Frischkorn Klaus Hermann Accounting Axel Knop-Gericke Niklas Nilius Horst Conrad Leonhard Grill Sergey Levchenko Purchasing Travel Dirk Rosenthal Thomas Risse André Fielicke Alexander Mikhailov Xinguo Ren Facility Olaf Timpe Svetlana Schauermann Bretislav Friedrich Bruno Pettinger Patrick Rinke Management Detre Teschner Shamil Shaikhutdinov Gert von Helden Julia Stähler Alexandre Tkatchenko 15 Annette Trunschke Martin Sterrer Karsten Horn Mina Yoon Sabine Wrabetz Thomas Schmidt Jochen Küpper Angel Rubio Raimund Horn Adela Marian Karsten Reuter (Indep. Res. Group) (Indep. Res. Group) Bas v. d. Meerakker Melanie Schnell Service Groups Electron IT Services Free Electron Electronics Joint Network Microscopy (PP&B) Laser Workshop Center (GNZ) Library Crystal Lab Mech. Workshop 16 17 18 Report of the Executive Director Within the reporting period from late 2007 to late 2009 the Institute continued to generate a large number of important and well-received scientific findings in its research area, as illustrated by the following reports of the individual departments which describe the research agenda and the individual achievements in detail. The institute has continued to further strengthen its collaborative efforts, and to achieve an even greater coherence of the research activities pursued by the different departments. The institute covers, in its experimental and theoretical studies, a wide range of phenomena of Physical Chemistry ranging from heterogeneous catalysis via surface science of nanostructures and clusters to the study of spatio-temporal dynamics of chemical reactions and their elementary processes, and to the manipulation and control of gas phase molecules. In all these fields, the institute has developed focal points of common research interests, engaging the wide spectrum of competences available in the different departments. The resulting unified view on research topics in the Kollegium helped the institute to become involved in multiple and leading roles within collaborative activities in the research landscape of the Berlin region. A highlight of these activities was the start of activities within the cluster of excellence (COE) “Unifying Concepts in Catalysis” that was funded by the special “Exzellenzinitiative” of the Federal Government, and started successfully within the reporting period. All departments of the FHI actively participate in this cluster. The CP department focuses the participation and represents the Institute in the governing board of the COE. In parallel to this substantial effort, the institute continues to participate actively in 4 other collaborative research centers of the Deutsche Forschungsgemeinschaft (SFB: Sonderforschungsbereich: SFB 450, 546, 555, 658) in which strong and focused collaborative activities connect the institute with all three Berlin universities and other research institutes. The most spectacular and exciting single event in the reporting period was the award of the Nobel Prize for chemistry to G. Ertl in 2007. The fact was already known at the meeting of the last Fachbeirat but the award was presented to G. Ertl 19 on December 10, 2007. The laureate was kind enough to invite the Kollegium and the president of the MPG as personal guests to the ceremony and to multiple surrounding events. This week at Stockholm will be unforgettable for all of us. The invitation was also extended to the - at the time - candidate for the vacant director position Prof. M. Wolf who also can be seen on the photographs taken around the event. The Kollegium created the Gerhard Ertl Lecture as a named lecture series on scientific aspects related to Gerhard Ertl´s work. The lecture, kindly sponsored by BASF ES Ludwigshafen, will be held annually around the day of the Nobel prize ceremony. It is awarded in collaboration with partnering universities of the UniCat cluster (TUB, HUB, FUB) and held at locations of the partnering universities. A selection committee with representatives from all partnering 20 organizations awarded the first lecture in 2008 to Prof.