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Electronic properties and functionality of low dimensional hybrid nanostructures
Jan. 24, 2018, 13:30 - 15:00
KIT, Campus Nord
Institute of Nanotechnology
Bldg. 640 Seminar room 0-167
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen

Talk given by

Dr. Velimir Meded
Institute of Nanotechnology

Karlsruhe Institute of Technology



Electronic structure calculations have long contributed to the understanding of the function of nano-structured materials and have increasingly reached predictive accuracy in the development of such materials, as exemplified by the materials genome project.

Here I will present recent work on two-dimensional perovskites. Perovskites are intensely investigated for energy conversion applications. In close collaboration with experimental groups at INT I have investigated two closely related 2D layered hybrid perovskite-like bromoplumbates, with very different emission properties. By means of electronic structure calculations point defects, more specifically extrinsic charge self-trapping at point defect sites, were identified as the source of disparate emission characteristics. The stiffness of the organic (optically inactive) layer appears to play a decisive role and should be taken into consideration when attempting materials design of 2D perovskite-like compound based lightning applications. As an application on molecular building blocks I will discuss effects of intercalation on electronic structure of twisted graphene bilayers will be presented along with a discussion on how the choice of twist angle and intercalant can be utilized for band-gap opening. Small twist angle bilayers in perpendicular magnetic field exhibit permanent current loops throughout the twisted moiré lattice.

Finally, I will give a perspective, how solid-state electronic structure methods can contribute to the design of novel nanoscale materials.

This event is part of the eventgroup INT Talks
Velimir Meded

Prof. (apl.) Dr. Wolfgang Wenzel
Institute of Nanotechnology (INT)
Karlsruhe Institute of Technology (KIT)
Mail:wolfgang wenzelKkf6∂kit edu
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