The role of oxygen in the uptake of deuterium in lithiated graphite

Abstract

We investigate the mechanism of deuterium retention by lithiated graphite and its relationship to the oxygen concentration through surface sensitive experiments and atomistic simulations. Deposition of lithium on graphite yielded 5%-8% oxygen surface concentration and when subsequently irradiated with D ions at energies between 500 and 1000 eV/amu and fluences over 1016 cm-2 the oxygen concentration rose to between 25% and 40%. These enhanced oxygen levels were reached in a few seconds compared to about 300 h when the lithiated graphite was allowed to adsorb oxygen from the ambient environment under equilibrium conditions. Irradiating graphite without lithium deposition, however, resulted in complete removal of oxygen to levels below the detection limit of XPS (e.g., <1%). These findings confirm the predictions of atomistic simulations, which had concluded that oxygen was the primary component for the enhanced hydrogen retention chemistry on the lithiated graphite surface. © 2013 AIP Publishing LLC.