# Resonant charge-transfer in grazing collisions of H$^-$ with vicinal nanosurfaces on Cu(111), Au(100) and Pd(111) substrates: A comparative study

## TL;DR

This study uses quantum simulations to compare resonant charge transfer of H$^-$ ions grazing different vicinal metal surfaces, revealing how surface nanostructures influence electron dynamics and ion survival probabilities.

## Contribution

It introduces a quantum wave packet approach to analyze electron transfer in nanostructured surfaces, highlighting substrate-dependent effects and the robustness of confinement-induced subband formation.

## Key findings

- Ion survival modulates with terrace size and energy.
- Surface nanostructure influences electron dynamics.
- Standing wave model explains ion survival peaks.

## Abstract

We compare the electron dynamics at monocrystalline Cu(111), Au(100) and Pd(111) precursor substrates with vicinal nanosteps. The unoccupied bands of a surface superlattice are populated \textit{via} the resonant charge transfer (RCT) between the surface and a H$^-$ ion that flies by at grazing angles. A quantum mechanical wave packet propagation approach is utilized to simulate the motion of the active electron where time-evolved wave packet densities are used to visualize the dynamics through the superlattice. The survived ion fraction in the reflected beam generally exhibits modulations as a function of the vicinal terrace size and shows peaks at those energies that access the image state subband dispersions. However, differences in magnitudes of the ion-survival as a function of the particular substrate selection as well as the ion-surface interaction time based on the choice of two ion-trajectories are examined. A square well model producing standing waves between the steps on the surface explains well the energies of the maxima in the ion survival probability for all the metals considered, indicating that the primary process of confinement induced subband formation is rather robust. The work may motivate measurements and applications of shallow-angle ion-scattering spectroscopy to access electronic substructures in periodically nanostructured surfaces.