Research report 2007 - Max Planck Institute for Polymer Research
Hydrogen-based fuel cells: The quantum-mechanical quest for the optimal membrane material
SummaryQuantum mechanical molecular dynamics simulations and solid state NMR spectroscopy reveal structural and dynamical properties of polymeric membrane materials of modern fuel cells. The atomistic resolution allows to model the proton transport along the fluctuating hydrogen bond network. The results support the design of improved materials for proton conducting polymers, yielding significant efficiency improvements in future generations of fuel cells.