Phone: 065 37 38 65

Dr.Dmytro Dudenko received a PhD degree in Physical Chemistry at the University ofFribourg (Switzerland) under supervision of Prof. Werner Hug in 2008, with athesis entitled “Conformationally Flexible

Molecules:Determining the Absolute Configuration by Raman Optical Activity”.


In 2009he has joined the group of Prof. Hans Wolfgang Spiess at the Max PlanckInstitute for Polymer Research in Mainz (Germany) for a three-year postdocperforming electronic structure simulations of various organic functionalmaterials under supervision of Dr. Daniel Sebastiani and Dr. Michael RyanHansen.

In thisgroup, Dmytro has been involved in the use of first principles methods toassess the structural characterisation of different assemblies in functionalmaterials, namely, liquid crystalline systems based on aromatic macromoleculesas well as conjugated donor-acceptor polymers and their blends with molecularacceptors, e.g., PDIs, NDIs, and derivatives of C60 and C70. The uniquecombination of X-ray, solid-state NMR and ab initio calculations played a keyrole in elucidating how the supramolecular packing and the relativeintermolecular arrangement in these materials are governed by a delicatecompetition between London dispersion forces and polarisation interactions includingformation of hydrogen bonding networks.


In 2012Dmytro moved to the University of Warwick, England (UK 850 MHz Solid-State NMRFacility), as a EPSRC Research Fellow and under supervision of Prof. StevenBrown dealt with the modelling of non-covalent interactions in organic solidsof bioactive molecules (i.e., nicotinamide, ibuprofen, etc.), aiming atcorrelating crystal structures theoretically predicted by the AIRSS method (AbInitio Random Structure Search, ) with experimentally resolveddata.


SinceMarch 2015 Dmytro is Research Fellow sponsored by the Belgian Federal SciencePolicy Office (BELSPO) in the Laboratory for Chemistry of Novel Materials atthe University of Mons. His research project "Designing new donor-acceptorconjugated polymers for high energy conversion solar cells." will aid inthe design of new conjugated polymer materials with improved photoconversionefficiency in organic solar cell applications.




Several supporting publications


Dudenko,Dmytro; Williams, P; Hughes, Colan; Antzutkin, Oleg; Velaga, Sitaram; Brown,Steven; Harris, Kenneth, ”Exploiting the Synergy of Powder X-ray Diffractionand Solid-State NMR Spectroscopy in Structure Determination of OrganicMolecular Solids”, J.

Phys.Chem. C 117, 12258-12265 (2013)


D.Niedzialek, V. Lemaur, D. Dudenko, J. Shu, M.R. Hansen, J.W.

Andreasen,W. Pisula, Klaus M ullen, Jerome Cornil, D. Beljonne, ”Probing the relationbetween charge transport and supramolecular organization down to the Angströmresolution in a benzothiadiazole-cyclopentadithiophene copolymer”, Adv. Mater.25,

1939-1947 (2013)


D. Dudenko, A. Kiersnowski, J. Shu, W. Pisula, D.Sebastiani, H.W.

Spiess,and M.R. Hansen,

”AStrategy for Revealing the Packing in Semi-Crystalline pi-Conjugated

Polymers:Crystal Structure of Poly-3-hexyl-thiophene”, Angew. Chemie Intl. Ed. 51,11068-11072 (2012)


N.C.Miller, E. Cho, M.J.N. Junk, R. Gysel, C. Risko, D. Kim, S.

Sweetnam,C.E. Miller, L.J. Richter, R.J. Kline, M. Heeney, I.

McCulloch,K. Zhao, K.R. Graham, A. Amassian, D. Acevedo-Feliz, C. Knox, M.R. Hansen, D.Dudenko, B.F. Chmelka, M.F. Toney, Jean-Luc Bredas, M.D.


”MolecularPacking in a Polymer-Fullerene Bimolecular Crystal”, Adv.

Mater. 24, 6071-6079



L. Mafra, S.M. Santos, R. Siegel, I. Alves, F.A. AlmeidaPaz, D.

Dudenko,H.W. Spiess,

”PackingInteractions in Hydrated and Anhydrous Forms of the Antibiotic

Ciprofloxacin:A Solid-State NMR, X-ray Diffraction and Computer Simulation Study”, J. Am.Chem. Soc. 134, 71-74 (2012)


M.Fritzsche, A. Bohle, D. Dudenko, U. Baumeister, D. Sebastiani, G.

Richardt,H.W. Spiess, M.R. Hansen, S. Höger, ”Empty Helical Nano-Channels with AdjustableOrder from Low-Symmetry Macrocycles”, Angew. Chemie Intl. Ed. 50,3030-3033 (2011)