Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin 19th Meeting of the Fachbeirat Berlin, November 28th – 30th, 2017 Fritz-Haber-Institut der Max-Planck-Gesellschaft Berlin 19th Meeting of the Fachbeirat Berlin, November 28th – 30th, 2017 Reports Members of the Fachbeirat 2017 Prof. Dr. Roberto Car Prof. Dr. Hans-Peter Steinrück Princeton University Universität Erlangen-Nürnberg Department of Chemistry Physikalische Chemie II Frick Laboratory, 153 Egerlandstr. 3 Princeton, NJ 08544-1009 91058 Erlangen USA Germany +1 609-258-2534 +49 9131 85-27343 [email protected] [email protected] Prof. Dr. Tony Heinz Prof. Dr. Wataru Ueda Columbia University Kanagawa University Departments of Physics and Electrical Department of Material and Life Chemistry Engineering Faculty of Engineering 500 West 120th St. 3-27-1, Rokkakubashi, Kanagawa-ku New York, NY 10027 Yokohama, 221-8686 USA Japan +1 212 854 6564 +81-45-481-5661 [email protected] [email protected] Prof. Dr. Manfred Kappes Prof. Dr. Evan R. Williams Karlsruhe Institut für Technologie (KIT) University of California, Berkeley Institut für Physikalische Chemie Department of Chemistry Fritz-Haber-Weg 2 B84 Hildebrand Hall 76131 Karlsruhe Berkeley, CA 94720-1460 Germany USA +49 721 608-42094 +1 510-643-7161 [email protected] [email protected] Prof. Dr. Maki Kawai Prof. Dr. Weitao Yang Institute for Molecular Science Duke University 38 Nishigo-Naka, Myodaiji, Department of Chemistry Okazaki, 444-8585 5310 French Family Science Center Japan Durham, NC 27708-0346 +81-564-55-7103 USA [email protected] +1 919 660- 1562 [email protected] Prof. Dr. Elisa Molinari Prof. Dr. Xiaoyang Zhu Department of Physics, Informatics and Columbia University Mathematics Department of Chemistry University of Modena and Reggio Emilia 550 W 120th Street, 1312 Northwest Corner Via Campi 213 a New York, NY 10027 41125 Modena USA Italy +1 212-851-7768 +39 059 2055628 [email protected] [email protected] Prof. Dr. Susannah Scott University of California Department of Chemical Engineering 10 Mesa Road Santa Barbara, CA 93106-5080 USA +1 805 893-5606 [email protected] TABLE OF CONTENT: Campus Map .......................................................................................................................................... i Organigramm of the FHI ...................................................................................................................... ii Report of the Executive Director .......................................................................................................... 1 International Max Planck Research School ‘Functional Interfaces in Physics and Chemistry’ .........19 1. General Remarks .......................................................................................................................21 2. Research achievements ..............................................................................................................22 3. Student training .........................................................................................................................23 The FHI Free Electron Laser Facility .................................................................................................32 1. Introduction ...............................................................................................................................32 2. Design and specifications of the FHI-FEL ................................................................................33 3. FHI-FEL facility and user projects ............................................................................................38 4. Extension plans for the FHI-FEL facility lab space ..................................................................39 5. Plans for a 2-color FEL upgrade ...............................................................................................40 6. Publications from the FHI-FEL facility ....................................................................................43 Department of Inorganic Chemistry Director: Robert Schlögl ....................................................46 Recent Developments in the Department of Inorganic Chemistry.......................................................47 1. General Developments ..............................................................................................................47 2. Scientific Highlight ...................................................................................................................51 3. Specific Developments ..............................................................................................................58 4. Future Developments ................................................................................................................78 5. Publications of the Department of Inorganic Chemistry ...........................................................81 6. Invited Talks of the Members of the Department of Inorganic Chemistry ...............................96 Department of Chemical Physics Director: H.-J. Freund ...........................................................107 Recent Developments in the Department of Chemical Physics .........................................................108 1. General Remarks .....................................................................................................................108 2. Progress Reports ......................................................................................................................114 3. Publications of the Department of Chemical Physics .............................................................132 4. Invited Talks of the Members of the Department of Chemical Physics ..................................138 Department of Molecular Physics Director: Gerard Meijer .......................................................146 Recent Developments in the Department of Molecular Physics ........................................................147 1. General Remarks .....................................................................................................................147 2. Molecular Physics Studies with Infrared Radiation ................................................................148 3. Controlled Molecules ..............................................................................................................157 4. Gas-liquid Interfaces ...............................................................................................................162 5. Publications of the Department of Molecular Physics ............................................................166 6. Invited Talks of the Members of the Department of Molecular Physics .................................173 Department of Physical Chemistry Director: Martin Wolf .........................................................180 Recent Developments in the Department of Physical Chemistry.......................................................181 1. General Remarks .....................................................................................................................182 2. Progress Report .......................................................................................................................191 3. Research Projects Funded from Outside Sources ....................................................................216 4. Publications of the Department of Physical Chemistry ...........................................................219 5. Invited Talks of the Members of the Department of Physical Chemistry ...............................230 Max Planck Research Group for Structural and Electronic Surface Dynamics ...............................242 1. Scientific Scope .......................................................................................................................243 2. Research Activities ..................................................................................................................244 3. Current cooperation partners ...................................................................................................251 4. Publications (August 2015 - July 2017) ..................................................................................252 5. Invited Talks (August 2015 - July 2017) .................................................................................254 Max Planck Research Group for Electron Dynami: Transient Functionality at Interfaces............257 1. Scientific Scope .......................................................................................................................258 2. Development of the Group ......................................................................................................259 3. Research Activities ................................................................................................................. 260 4. Current cooperation partners .................................................................................................. 268 5. Publications (August 2015 – August 2017) ............................................................................ 269 6. Invited Talks (August 2015 - August 2017) ........................................................................... 270 Theory Department Director: Matthias Scheffler ........................................................................ 273 Recent Developments in the Theory Department .............................................................................