Isotope Effects in the Formation of Molecular Hydrogen on a Graphite Surface via an Eley−Rideal Mechanism

Abstract

The associative desorption of HD (ν,j) and D2 (ν,j) on a graphite(0001) surface via an Eley−Rideal mechanism has been studied theoretically using a time-dependent wave packet method. We find that product molecules are formed rovibrationally excited and translationally hot. When comparing the different products to earlier calculations on the formation of H2 on graphite(0001), we find significant isotope effects and possible resonant transitions during the reaction, which might have consequences for the possible detection of highly excited H2 in dense intermolecular clouds.