Dynamic bonding influenced by the proximity of adatoms to one-atom high step edges

TL;DR

This study investigates how the proximity of adatoms to step edges affects their dynamic bonding behavior on gold surfaces, combining experimental STM techniques with computational simulations.

Contribution

It introduces a combined experimental and computational approach to analyze how atomic placement influences bonding dynamics at low temperatures.

Findings

Bonding behavior varies with adatom proximity to step edges.

Simulations reveal differences in atomic interactions based on placement.

Crystalline tip classification correlates with experimental performance.

Abstract

Low-temperature scanning tunneling microscopy is used here to study dynamic bonding of gold atoms on surfaces under low coordination conditions. In the experiments, using an atomically-sharp gold tip, a gold adatom is deposited onto a gold surface with atomic precision either on the first hollow site near a step edge, or far away from it. Classical molecular dynamics simulations at 4.2 K and density functional theory calculations serve to elucidate the difference in the bonding behavior between these two different placements, while also providing information on the crystalline classification of the STM tips based on their experimental performance.