Photochemistry of a water molecule on the TiO₂-rutile(110) surface

The Priority Program 1613 was established by the DFG in 2012 and is coordinated by Prof. Jaegermann at Darmstadt University.

Aim of this cooperation is to find new and promising approaches for the photocatalytic water splitting and to promote technical applications. Because of limited fossil fuels generating hydrogen from water using sunlight as an energy source is an ecologically and economically appealing idea.

In this Priority Program, groups from Germany are involved, investigating water splitting experimentally and theoretically. Our group is part of this program since its beginning and continues to collaborate in the second founding period starting in summer 2015. We focus on an quantumchemical and quantumdynamical simulation of water on a rutile surface. The aim is an microscopic understanding of photochemistry based on highly accurate ab initio data. These studies are complemented by studies on defects, dopants and other rutile surfaces. First results can be found in our list of publications.

Further information can be found on the  Priority Program's Homepage.