Modeling Kinetic and Transport Processes in PGM-free Electrodes

Laboratory: Argonne National Laboratory
Capability Expert: Rajesh Ahluwalia
Capability Details:
Title:    Modeling kinetic and transport processes in PGM-free electrodes
Class:    Computational tool and characterization
Description:    Computational methods and models are available to characterize the kinetic and transport behavior of non-PGM electrodes. These models are useful in designing test matrices and protocols that enable the systematic extraction of relevant model parameters that define hydrogen oxidation reaction and oxygen reduction reaction (ORR) kinetics; oxygen/water transport in gas channels, diffusion media and electrodes; and Ohmic losses in the electrodes and membrane. Once these parameters are determined, the model can be applied to determine the performance of full-scale cells and stacks under automotive-relevant conditions.
Capability Bounds:    The models are mechanistic and require supporting experimental data that are specific to catalysts and electrode structures.
Unique Aspects:    Models are most useful in identifying mechanisms that limit the performance of catalyst layers and electrodes under different conditions and in guiding improvements needed to overcome these limitations.
Availability:    Models are available at different levels of fidelity (1-D, 2-D and 3-D) and length scales.

Ahluwalia, R.K., Wang, X., Lajunen, A., Steinbach, A.J., Hendricks, S.M., Kurkowski, M.J., and Debe, M.K., “Kinetics of Oxygen Reduction Reaction on Nanostructured Thin-Film Platinum Alloy Catalyst,” Journal of Power Sources, Vol. 215, 77-88, Oct. 2012.

Wang, X., Ahluwalia, R.K., and Steinbach, A.J., “Kinetics of Hydrogen Oxidation and Hydrogen Evolution Reactions on Nanostructured Thin-Film Platinum Alloy Catalyst,” Journal of the Electrochemical Society, Vol. 160, F251-F261, 2013.

Benefit:    This capability is important to the mission of ElectroCat since knowledge of kinetic and transport processes that limit electrochemical performance is crucial in the development of novel PGM-free catalysts and electrodes.