2 papers
physics.chem-ph2018
A van der Waals DFT study of chain length dependence of alkanethiol adsorption on Au(111): Physisorption vs.chemisorption
Ersen Mete, Merve Yortanlı, Mehmet Fatih Danışman
The energetics and structures of physisorbed and chemisorbed alkanethiols on Au(111) have been systematically investigated up to 10 carbon atoms using van der Waals (vdW) corrected…
cond-mat.mtrl-sci2016
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 (CBHS) isomers on gold (111) surface have been investigated using both the standard and van der W…