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Nanoscale and Biomolecular Simulation

Welcome to the website of Wolfgang Wenzel's Research Group focused on the "Nanoscale and Biomolecular Simulation," one of the topics researched in Functional Molecules at the Institute of Nanotechnology (INT) at the Karlsruhe Institute of Technology.








Influence of meso and nanoscale structure
Influence of meso and nanoscale structure on the properties of highly efficient small molecule solar cells The nanoscale morphology of the bulk heterojunction absorber layer in an organic solar cell (OSC) is of key importance for its efficiency. The morphology of high performance vacuum-processed, small molecule OSCs based on oligothiophene derivatives (DCV5T-Me) blended with C60 on various length scales is studied.
Influence of meso and nanoscale structure
Folding and Self-Assembly of the TatA Translocation Pore Based on a Charge Zipper Mechanism

► Charge zippers as a new concept for folding and assembly of membrane proteins ► 3D structure of TatA pore explains translocation of folded proteins across membrane ► Ladders of salt bridges connect an amphiphilic palisade that can span the bilayer ► MD simulations and specific charge mutations support the charge zipper model

Membrane Proteins
Video of charge transport in organic LED

This video illustrates the principle of OLED devices. Electrons and holes are injected at the electrodes, drift through the device and emit light when they recombine. The charge carrier movement in a real device can be simulated using the kinetic Monte-Carlo method.