Multiscale analysis of adsorption-induced surface stress of alkanethiol on microcantilever
Journal
Journal of Physics D: Applied Physics
Journal Volume
46
Journal Issue
3
Date Issued
2013
Author(s)
Abstract
Abstract A multiscale scheme was developed to evaluate adsorption-induced surface stresses in an alkanethiol-passivated Au(1 1 1)-modified microcantilever surface using first-principle density-functional theory calculations. In particular, the effect of alkyl chain length on the generated surface stresses was considered in detail. It was found that the majority of the surface stress originated from re-organization of the first two Au atom layers that lie in close proximity to the adsorption site. The difference in the calculated surface stresses, which were consistent with experimental measurements, was determined to be approximately −0.05 N m −1 per two carbons added to the alkanethiol chain.
SDGs
Type
journal article