Alignment-resolved O2 scattering from highly oriented pyrolytic graphite and LiF(001) surfaces

Abstract

We present an alignment-resolved O 2 scattering experiment showing that the alignment of an incident homonuclear diatomic molecule strongly influences the angular distribution of scattered molecule, the energy loss during the collision, and the trapping probability. Clear surface rainbow scattering has been observed on LiF(001) when O 2 is scattered along the [110] azimuth with its axis perpendicular to the scattering plane. The results can be understood based on the alignment dependence of the surface corrugation felt by an incident molecule. The fact that O 2 trapping probability on a highly oriented pyrolytic graphite surface is higher for end-on collision has been associated with the observed larger energy loss for this geometry.

Ab Initio Molecular Dynamics Study of Alignment-Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite

“…Since the pioneering experiments by Kleyn and co-workers for the NO/Ag(111) system, various experimental and theoretical works have been devoted to the study of the orientation effect in the scattering and reactivity of molecules such as NO and CO at different surfaces. − In the case of homonuclear molecules, the alignment effect is measured, which distinguishes the side-on and end-on collisions. Although not so intensively studied as the orientation effect, in the past years, the interaction of aligned molecules with surfaces has been receiving increasing attention thanks to recent advances in the experimental setups that allow one to determine how the stereochemistry and spin state of molecules influence the interaction dynamics and reactivity on different surfaces. − …”

Correction to “Ab Initio Molecular Dynamics Study of Alignment Resolved O2 Scattering from Highly Oriented Pyrolytic Graphite”

“…Although our P X and P Y alignments in ref do not correspond exactly to those defined by Kurahashi and Kondo, which were referred to the scattering plane, in both references the molecular axis is initially oriented parallel to the graphite surface. In this respect, it is suggested in ref that the orientation of the graphite domain relative to the scattering plane has little effect on the difference observed between the alignments.…”

“…Although our P X and P Y alignments in ref do not correspond exactly to those defined by Kurahashi and Kondo, which were referred to the scattering plane, in both references the molecular axis is initially oriented parallel to the graphite surface. In this respect, it is suggested in ref that the orientation of the graphite domain relative to the scattering plane has little effect on the difference observed between the alignments. Therefore, the comparison with the experimental results presented in the original publication is useful and contribute to the theoretical understanding of the alignments effects observed in the O 2 –HOPG system.…”

Time-of-flight measurements of the low-energy scattering of CH4 from Ir(111)

“…However, in our experimental setup we cannot select the initial state of the molecular orientation as has been done in other molecular beam studies, where it was shown that the alignment of an incident diatomic molecule strongly influences the angular distribution of the scattered molecules, the energy loss during the collision and the trapping probability. 8,[28][29][30][31] In summary, the sampled surface corrugation, which plays a crucial role in RID, is affected by both the azimuthal and molecular orientations. Our measurements can address the former, however, our experimental setup does not allow us to address the latter.…”