Lecture Abdelkader Kara
|10 July 2012||FWN-Building 5114.0004, Nijenborgh 4, 9747 AG, Groningen|
|Speaker:||Prof. Dr. Abdelkader Kara|
|Affiliation:||University of Central Florida, College of Sciences, Department of Physics|
|Title:||Coordination, chemistry and structure effects on the adsorption of acenes on transition metal|
|Date:||Tue Jul 10, 2012|
|Telephone:||+ 31 50 363 4750|
Understanding the interface electronic structure characteristics between organic molecules and the transition metal surfaces with different structural (degree of corrugation, bonding environment, coordination) and chemical characteristics is crucial for the design of high performance organic devices. The computational high-throughput screening of the interface characteristics involving a variety of surfaces can provide the fundamental understanding and predictions for the design of the breakthrough devices with the desired highest performances. I use first-principles calculations to screen the electronic structure characteristics of the interfaces between the relevant organic molecules (acenes in this case) and several transition metal surfaces with different chemical identities and orientations.
In this talk, I will give a detailed account for the case of pentacene on copper surfaces. I will also present the case of benzene on metal surfaces where the inclusion of dispersion forces through van der Waals corrections is necessary.
|Last modified:||22 October 2012 2.31 p.m.|