A Density Functional Theory Investigation of Carboranethiol Self-Assembled Monolayer on Au(111)

Ersen Mete, Ayşen Yılmaz, M. Fatih Danışman

Isolated and full monolayer adsorption of various carboranethiol (C${}_2$B${}_{10}$H${}_{12}$S) isomers on gold (111) surface have been investigated using both the standard and van der W…