Material Properties of Semi-Conducting Polymers

Junior Group leader



Organic electronics plays an increasingly important role in the semiconductor world. We focus on the simulation of charge transport in organic electronic devices to elucidate the interplay between molecular properties of the organic material and thin film architecture with an emphasis on the understanding the role of interface: organic/inorganic and organic/organic.




  1. J.-K. Li, M.-Y. Shao, Z.-Y. Yang, O. Guskova
    The merging mechanisms of poly(3-hexylthiophene) domains revealed through scanning tunneling microscopy and molecular dynamics simulations
    Polymer 191 (2020) 122266  
  2. V. Savchenko, M. Koch, A. S. Pavlov, M. Saphiannikova, O. Guskova
    Stacks of Azobenzene Stars: Self-Assembly Scenario and Stabilising Forces Quantified in Computer Modelling
    Molecules 24(23) (2019) 4387  
  3. M. Koch, M. Saphiannikova, O. Guskova
    Do Columns of Azobenzene Stars Disassemble under Light Illumination?
    Langmuir 35(45) (2019) 14659-14669  
  4. D. Raychev, R. D. Méndez-López, A. Kiriy, G. Seifert, J.-U. Sommer, O. Guskova
    Copolymers of Diketopyrrolopyrrole and Benzothiadiazole: Design and Function from Simulations with Experimental Support
    Macromolecules 52(3) (2019) 904-914  


  • DFG, Project GU1510/5-1