Prof. Dr. Gianfranco Pacchioni

Profile

Academic positionFull Professor
Research fieldsPhysical Chemistry at Surfaces,Solid State Chemistry and Surface Chemistry, Material Synthesis
Keywordsmaterials for energy, clusters, modeling, catalysis, surfaces

Current contact address

CountryItaly
CityMilano
InstitutionUniversita degli Studi di Milano-Bicocca
InstituteDipartimento di Scienza dei Materiali

Host during sponsorship

Prof. Dr. Notker RöschLehrstuhl für Theoretische Chemie, Technische Universität München, Garching
Prof. Dr. Hans-Joachim FreundAbteilung Chemische Physik, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin
Prof. Dr. Matthias SchefflerAbteilung Theorie, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin
Start of initial sponsorship01/05/1993

Programme(s)

1993Humboldt Research Fellowship Programme
2005Humboldt Research Award Programme

Nominator's project description

Gianfranco Pacchioni has pioneered the theoretical cluster description of oxide surfaces, surface defects and the bonding of metal and nanoparticles to such systems. His studies predicted systematic variations in vibrational frequencies and in excited state properties which stimulate consecutive experimental work. The project during his stay at the Fritz-Haber-Institut involves understanding the nature of a particular class of surface defects, namely so called color centers at the surface of MgO films.

Publications (partial selection)

2006M. Yulikov, M. Sterrer, M. Heyde, H.-P. Rust, T. Risse, H. J. Freund, G. Pacchioni, A. Scagnelli: Binding of single gold atoms on thin MgO(001) films. In: Physical Review Letters, 2006, 146804-1-146804-4
2006C. Di Valentin, K. Neyman, T. Risse, M. Sterrer, E. Fischbach, H.-J. Freund, V. A. Nazluzov, G. Pacchioni, and N. Rösch: Density functional model cluster studies of EPR g tensors of Fs+ centers on the surface of MgO. In: J. of Chemical Physics, 2006, 044708-1-044708-6
2006C. Di Valentin, A. Scagnelli, G. Pacchioni, T. Risse, H.-J. Freund: EPR properties of Au atoms adsorbed on various sites of the MgO(100) surface from relativistic DFT calculations. In: Surface Science, 2006, 2434-2442
2006M. Sterrer, M. Heyde, M. Novicki, N. Nilius, T. Risse, H.-P. Rust, G. Pacchioni, H.-J. Freund: Identification of color centers on MgO(001) thin films with Scanning Tunneling Microscopy. In: J. of Physical Chemistry B, 2006, 46-49
2006M. Sterrer, M. Yulikov, E. Fishbach, M. Heyde, H.-P. Rust, G. Pacchioni, T. Risse, H.-J. Freund: Interaction of gold clusters with color centers on MgO(100) films. In: Angewandte Chemie Int. Ed., 2006, 2630-2632
2006M. Sterrer, M. Yulikov, T. Risse, H.-J. Freund, J. Carrasco, F. Illas, C. Di Valentin, L. Giordano, G. Pacchioni: When the reporter induces the effect: unusual IR spectra of CO on Au1/MgO(100)/Mo(100). In: Angewandte Chemie Int. Ed., 2006, 2633-2635