The T-12 group is involved in several projects to characterize the behavior and structure of catalytic materials.
Projects in the group concerned with catalytic behavior include:
Partial Oxidation
Solid Acid Catalysis
Homogeneous Catalysis
T-12's contribution to the projects consists of electronic structure calculations to elucidate the thermochemistry, local structure and reaction mechanisms, molecular simulations, kinetics and theoretical techniques to analyze atomic structure from experiments such as neutron and x-ray scattering.
People in T-12 working on these projects include: