Photo-induced oxidation and desorption of CO on Ru(0001)

The oxidation of carbon monoxide (CO) on different transition metal surfaces, including ruthenium, is a benchmark reaction for theoretical and experimental studies of heterogeneous catalysis. Bonn and coworker investigated the photo-induced desorption and oxidation of CO adsorbed on an oxygen pre-covered surface of Ru(0001) with a 800nm femtosecond laser [1]. This experiment predicts that, the electronic excitations created by the laser pulse modify the yield of the reaction by promoting the recombination of carbon monoxide and oxygen atom. Simulations based on the advanced ab-initio molecular dynamics method that includes electronic friction (AIMDEF) and thermostats [2] show that not only the laser-excited electrons matter. It is the electron-phonon synergy that ultimately facilitates the CO oxidation on the surface.

1. M. Bonn et.al., SCIENCE, 1999, 285, 1042-1045.
2. M. Alducin, N. Camillone III, S-Y Hong, and J. I. Juaristi, Phys. Rev. Lett., 2019, 123, 246802(1-6)