Research Interests
Kinetics and thermodynamics at
surfaces.
Current Research
We study the kinetics of hydrogen
production by water splitting on reduced ceria. We use density functional theory and
harmonic transition state theory to calculate the rates of reaction
steps on the surfaces of ceria. These rates are then used as input
for microkinetic models.
Biography
2009, Ph.D. (physics), Center for Atomicscale Materials
Design, Department of Physics, Technical University of Denmark.
2006, cand.polyt., Technical
University of Denmark
PublicationsB. Meredig, A. Thompson, H.A. Hansen, C. Wolverton, and A. van de Walle.
Method for locating lowenergy solutions within DFT+U, Phys Rev B
(2010)
