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Lecture Jonas Björk


14 June 2011 FWN-Building 6116.0116, Nijenborgh 4, 9747 AG, Groningen
Speaker: Dr. Jonas Björk
Affiliation: Dept. of Physics and Measurement Technology, Biology and Chemistry (IFM), University of Linköping, 58183 Linköping, Sweden
Title: First principles insights into on-surface reactions: The formation of a graphene nanoribbon
Date: Tue Jun 14, 2011
Start: 10.30
Location: FWN-Building 6116.0116
Host: Meike Stöhr
Telephone: +31 50 363 4438


During the last years several studies have illustrated how covalently linked materials can form spontaneously through on-surface reactions on various transition metal surfaces. I will demonstrate how density-functional theory together with transition state theory can be used to gain detailed information about the formation mechanisms of such materials. This theoretical toolbox has been used to describe the cyclodehydrogenation of a surface polymer into a graphene nanoribbon on the Au(111) surface, a reaction that was recently illustrated experimentally by Cai and co-workers. It will be discussed how cooperative effects control the on-surface reaction, with special focus on what role molecule-surface and molecule-molecule interactions play. In particular, the catalytic role of the Au(111) surface will be addressed.

Last modified:22 October 2012 2.30 p.m.