Photocatalysis on TiO2: insights from simulations

TiO₂-based photocatalysis for the degradation of pollutants and the splitting of water into H₂ and O₂ has been an important area of research for decades. In this talk I shall discuss recent applications of first principles electronic structure calculations and molecular dynamics simulations to understand materials properties and reaction mechanisms in TiO₂-based heterogeneous photocalysis. Examples will focus on the structure and reactivity of anatase TiO₂ aqueous interfaces, the behavior of charge carriers at the interface, and the formation and structure of so-called black TiO₂, a promising functional material capable to absorb the whole spectrum of visible light.

Tenth NCCR MARVEL "Distinguished Lecture"
NCCR MARVEL - Events

Bio: Laurea in Physics, Universitá La Sapienza, Roma, Italy, 1974
Ph. D., Swiss Federal Institute of Technology, Lausanne, Switzerland,1976-1979
Postdoctoral Researcher, IBM T.J.Watson Research Center,1980-1982
Assistant Professor, Universitá La Sapienza and Universitá Roma II, Italy, 1982-1988
Associate Professor, International School for Advanced Studies, Trieste, Italy, 1988-1995
Maître d’Enseign. et Recherche, Dept. Physical Chemistry, Geneva, Switzerland, 1996-1999
Senior Research Staff and Lecturer, Dept. of Chemistry, Princeton University,1999-2002
Associate Professor, Dept. of Chemistry, Princeton University, 2002-2008
David B. Jones Professor of Chemistry, Princeton University, 2008-present Fellow of the American Physical Society, 2008
APS Outstanding Referee, 2012