To date, copper is the only heterogeneous catalyst that has shown a propensity to produce
valuable hydrocarbons and alcohols, such as ethylene and ethanol, from electrochemical …

In this opinion, we review the state-of-the-art in modelling of the water oxidation reaction
catalysed by homogeneous and heterogeneous systems. We start by introducing the …

It is highly desirable, while still challenging, to obtain noble metal nanocrystals with custom
cap** ligands, because their colloidal synthesis relies on specific cap** ligands for the …

Abstract Proton Exchange Membrane Fuel Cells (PEMFCs) are electrochemical devices
capable of direct conversion of chemical energy into electricity. They are a promising …

This thesis describes the development of a rigorous first-principles framework for
microkinetic modeling and the investigation of several industrially relevant catalytic reactions …