Lecture L. Jensen
|27 september 2004||FWN-Building 5116.0116, Nijenborgh 4, 9747 AG, Groningen|
|Speaker:||Dr. L. Jensen|
|Affiliation:||Department of Chemistry, Northwestern University|
|Title:||Non-linear optical properties of carbon nanostructures: from molecules to materials|
|Date:||Mon Sep 27, 2004|
|Host:||P.L. de Boeij|
|Telephone:||+31 50 363 4287|
Since the discovery of fullerenes and later carbon nanotubes they have been strong candidates for the next generation of functional materials. The reason that they are of interest in NLO applications are due to their extended pi-system and that carbon-based materials provide numerous possibilities to design molecular functionality. Theoretically it is a great challenge to determine the NLO properties of these systems due to their large size.
In this talk I will describe methods to calculate the NLO properties of fullerenes and carbon nanotubes, including first-principles methods, atomistic models, and combination of these methods. The focus will be on the scalling of the linear and nonlinear properties with increasing system size. In particular it will be shown how to link the microscopic calculated properties, i. the (hyper-)polarizabilities, to the macroscopic (nonlinear) susceptibilities. These calculated macroscopic (nonlinear) suceptibilities can then be compared directly with experimental results.
|Laatst gewijzigd:||22 oktober 2012 14:30|