Prof. Dr. Gianfranco Pacchioni

Profil

Derzeitige StellungProfessor W-3 und Äquivalente
FachgebietPhysikalische Chemie der Grenzflächen,Festkörper- und Oberflächenchemie, Materialsynthese
Keywordsmaterials for energy, clusters, modeling, catalysis, surfaces

Aktuelle Kontaktadresse

LandItalien
OrtMilano
Universität/InstitutionUniversita degli Studi di Milano-Bicocca
Institut/AbteilungDipartimento di Scienza dei Materiali

Gastgeber*innen während der Förderung

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
Beginn der ersten Förderung01.05.1993

Programm(e)

1993Humboldt-Forschungsstipendien-Programm
2005Forschungspreis-Programm auf Gegenseitigkeit für Wissenschaftler*innen aus dem Ausland

Projektbeschreibung der*des Nominierenden

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.

Publikationen (Auswahl)

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