Standing waves are a special type of spatio-temporal pattern observed in the CO oxidation reaction on Pt(110). We present new experimental data that indicate the important role played by the formation
Density functional theory calculations were employed to investigate the {001}, {011} and {111} surfaces of this iron thio-spinel material, as well as the production of hydrogen ad-atoms from the disso
Cluster expansions (CEs) provide an exact framework for representing the configurational energy of interacting adsorbates at a surface. Coupled with Monte Carlo methods, they can be used to predict bo
Metadynamics trajectory describing the reaction path for the direct and solvent-free amide bond formation process between gas-phase methylamine and TiO2-adsorbed formic acid. The trajectory is in the
