Introduction to new family members of carborane-thiol molecules, and their first computational adsorption study on Au nanocluster surfaces

Yavuz A., Yalçın C., Visnak J., Machacek J., Base T., Danışman M. F.

NanoTR-17, İzmir, Turkey, 27 - 29 August 2023, pp.33

  • Publication Type: Conference Paper / Summary Text
  • City: İzmir
  • Country: Turkey
  • Page Numbers: pp.33
  • Middle East Technical University Affiliated: Yes

Abstract

We will present a study of the adsorption mechanism of carborane-thiol molecules on Au nanoclusters surface using density functional theory (DFT). We will investigate the adsorption behavior and dipol-dipol lateral interactions of M9, mm-SH, and pp-SH carboranethiol self-assembled monolayers on template-stripped Au films (TSAu) using contact angle measurements (CAs), atomic force microscopy (AFM), and X-ray photoelectron spectroscopy (XPS) techniques. Our results show that the adsorption of carborane-thiol molecules on Au nanoclusters is a complex process that is influenced by the size and shape of the nanoclusters, the surface chemistry of the nanoclusters, and the molecular structure of the carborane-thiol molecules. We believe that our study provides new insights into the adsorption mechanism of carborane-thiol molecules on Au nanoclusters, and that this information could be used to design new materials with enhanced properties. This work was supported by TÜBİTAK Grant no. 120N628.