Understanding water structure and reactivity at aluminium oxide surfaces using nonlinear vibra-tional spectroscopy and theory
(B01)
Subject Area
Physical Chemistry of Molecules, Liquids and Interfaces, Biophysical Chemistry
Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
Term
from 2014 to 2018
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 234149247
Corundum-type metal oxide surfaces are ubiquitous. Most of their properties, e.g., their reactivity, proton conductivity and charge, strongly depend on reaction with water. However, understanding how water and oxides interact is challenging: it requires the description of processes that occur over many orders of magnitude in time and space. Here we address this multi-scale challenge both experimentally, by time averaged and ultrafast time resolved surface-sensitive vibrational spectroscopy, and theoretically, by quantum chemistry and molecular dynamics, for two corundum-type oxides, α-Al2O3 and α-Fe2O3, that are isostructural but differ dramatically in bulk electronic structure.
DFG Programme
Collaborative Research Centres
