Microkinetic modelling for sustainable chemistries
Compiling high quality experimental data for reaction kinetics and thermodynamics to inform catalyst design choices and reaction conditions.
Dynamically controlling reaction conditions and catalysis parameters in situ to force catalyst behavior that can improve reaction energetics for certain elementary steps of a catalyzed chemistry. Such behavior modification does not usually occur during a static reaction regime for a particular reaction pathway.
Solvent Effects: Breaking linear energy scaling relations
Solvents can have antagonistic relationships with catalyst active site behaviors, properly understanding these impacts will inform decisions made to produce more resource efficient reaction design.
Adsorption & Confinement
As molecules adsorb on surfaces that are part of small 3D spaces certain characteristics can change in unexpected ways. This behavior can be valuable to understand as it impacts much of heterogeneous catalysis.