When someone has heard of a catalyst before, it has often been explained as a car part that cleans the exhaust gases. However, there are many more types of catalysts used in the industrial production of almost any chemical, ranging from enzymes (biocatalysis) for the production of medicines to solid catalysts for gasoline and plastics production. 1,2 A catalyst is in general a substance that is used to accelerate a chemical reaction from starting compound A to desired product B by lowering the activation barrier (figure 1.1A), while the substance itself is not consumed. 3 For example, inside the three-way catalytic converter in gasoline-type cars several catalyzed reactions simultaneously occur: hydrocarbons, carbon monoxide (CO), and nitrogen oxides (NOx) in the high exhaust stream are converted into the less harmful carbon dioxide (CO2), water (H2O), and nitrogen gas (N2). 4 Here, we focus on heterogeneous catalysts, which are solid catalysts used in liquid-or gas-phase reactions. The active compound in heterogeneous catalysts is often a metal (oxide or sulfide). Figure 1.1 (A) Energy diagram of a catalyzed and non-catalyzed chemical reaction with Eact representing the activation energy. (B) Transfer of electron density from the d-band of a metal to an anti-bonding orbital of a reactant (here σ* of an H2 molecule). Back-donation (as indicated by the arrow) induces bond breaking. Adapted from ref. [3]. (C) Different binding modes of a CO molecule on a metal surface. 493 60 2,000 b 12.4 50.7 42.6 6.3 [177] a N-C = ordered mesoporous nitrogen-doped carbon, KIT-6 = ordered mesoporous silica, last entry = physical mixture. b In mL gcat -1 h -1 . c C2+OH = higher alcohols, HC = hydrocarbons. d Without taking CO2 into account.