Revision 1

Accepted · first revision · record

Title: Vibrational energy loss of NO molecules colliding with gold
Plain: Highly vibrating NO molecules bouncing off a gold surface lose most of their vibration by exciting electrons in the metal. The two main theories disagree with each other and with the measured amount of energy lost.
Precise: For NO($v_{i}=3$ and $v_{i}=16$) scattering from Au(111) at incidence energies 0.05 to 1 eV, compute the final vibrational distribution $P(v_{f})$ and its dependence on incidence energy and orientation, and identify which treatment of nonadiabatic electron-hole pair excitation (electronic friction, independent-electron surface hopping, or a many-body treatment of the NO- anion state) reproduces the measured multiquantum relaxation. An answer is a first-principles calculation matching $P(v_{f})$ within experimental error for both initial states.
Settled by: First-principles nonadiabatic scattering calculations with an accurate NO/Au potential and anion state that reproduce the state-to-state molecular-beam data.
Kind: phenomenon
Answer type: mechanism
References: (empty)
Literature status: contested
Status note: (empty)
Posed since: (empty)