The world faces many challenges over the next few decades concerning energy production, energy storage, and reduced energy impact on the environment. Nearly all of the chemical processes involved in energy conversion utilize catalytic chemical transformations at interfaces between solids and liquids or gases. These include novel electro- or photo-catalytic processes to produce hydrogen and to convert emitted CO2 to fuels, more efficient and stable fuel cell catalysts and selective thermal heterogeneous catalytic processes for generation of methanol, ammonia, higher alcohols and hydrocarbons. Here we use x-rays to probe catalytic surfaces under operational conditions at high gas pressures or at solid-liquid interfaces to detect intermediates and rearrangement of catalytic material itself. From a functional understanding of the involved elementary reaction steps, bonding of intermediates, activation barriers, interfacial charge transfer and restructuring of the catalyst itself, we can envision a rational design of active sites that would catalyze a specific chemical transformation.