Mechanisms for carbon adsorption on Au(110)-(2*1): A work function analysis

TL;DR

This study investigates how carbon adsorption affects the work function of Au(110)-(2*1) surfaces through experimental measurements, density functional calculations, and ab-initio molecular dynamics simulations, revealing insights into adsorption sites and charge distribution effects.

Contribution

It combines experimental and computational approaches to elucidate the mechanisms of carbon adsorption and its impact on the work function of Au(110)-(2*1).

Findings

Work function varies with carbon coverage.

Adsorption sites influence the deposition process.

Charge density distributions explain work function changes.

Abstract

The variation of the work function upon carbon adsorption on the reconstructed Au(110) surface is measured experimentally and compared to density functional calculations. The adsorption dynamics is simulated with ab-initio molecular dynamics techniques. The contribution of various energetically available adsorption sites on the deposition process is analyzed, and the work function behavior with carbon coverage is explained by the resultant electron charge density distributions.