Prof. Dr. Dirk Zahn



Organisation


Professur für Theoretische Chemie



Project lead


(Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik (FRASCAL)):
GRK2423 - P3: Fracture in Polymer Composites: Nano to Meso
Dr. Paolo Moretti; Prof. Dr. Dirk Zahn
(02/01/2019 - 30/06/2023)

(Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)):
GRK2423 - P8: Teilprojekt P8 - Fracture in Polymer Composites: Meso to Macro
PD Dr. Julia Mergheim; Prof. Dr. Dirk Zahn
(02/01/2019 - 30/06/2023)


Project member


GRK 2423 FRASCAL: Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)
Prof. Dr.-Ing. Paul Steinmann
(01/01/2019 - 30/06/2023)


Publications (Download BibTeX)

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Träg, J., & Zahn, D. (2019). Improved GAFF2 parameters for fluorinated alkanes and mixed hydro- and fluorocarbons. Journal of Molecular Modeling, 25(2). https://dx.doi.org/10.1007/s00894-018-3911-5
Wittmann, J., Stiegler, L., Henkel, C., Träg, J., Götz, K., Unruh, T.,... Halik, M. (2019). Multifunctional and Tunable Surfaces Based on Pyrene Functionalized Nanoparticles. Advanced Materials Interfaces. https://dx.doi.org/10.1002/admi.201801930
Sarcletti, M., Vivod, D., Luchs, T., Rejek, T., Portilla Berlanga, L., Müller, L.,... Halik, M. (2019). Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water. Advanced Functional Materials. https://dx.doi.org/10.1002/adfm.201805742
Walther, M., & Zahn, D. (2018). From bismuth oxide/hydroxide precursor clusters towards stable oxides: Proton transfer reactions and structural reorganization govern the stability of [Bi18 O13 (OH)10]-nitrate clusters. Chemical Physics Letters, 691, 87-90. https://dx.doi.org/10.1016/j.cplett.2017.10.064
Schimmel, S., Duchstein, P., Steigerwald, T., Kimmel, A.-C., Schlücker, E., Zahn, D.,... Wellmann, P. (2018). In situ X-ray monitoring of transport and chemistry of Ga-containing intermediates under ammonothermal growth conditions of GaN. Journal of Crystal Growth, 498, 214-223. https://dx.doi.org/10.1016/j.jcrysgro.2018.06.024
Huinink, H.P., & Zahn, D. (2017). Elucidating water dynamics in MgCl2 hydrates from molecular dynamics simulation. Solid State Sciences, 69, 64-70. https://dx.doi.org/10.1016/j.solidstatesciences.2017.05.011
Martin, T., Niemietz, P., Greim, D., Ectors, P., Senker, J., Zahn, D., & Breu, J. (2017). Fundamental theoretical and practical investigations of the polymorph formation of small amphiphilic molecules, their co-crystals and salts. Zeitschrift für Kristallographie, 232(55-67). https://dx.doi.org/10.1515/zkri-2016-1977
Weber, M., Schlesinger, M., Walther, M., Zahn, D., Schalley, C.A., & Mehring, M. (2017). Investigations on the growth of bismuth oxido clusters and the nucleation to give metastable bismuth oxide modifications. Zeitschrift für Kristallographie, 232(1-3). https://dx.doi.org/10.1515/zkri-2016-1970
Dietrich, H., Schmaltz, T., Halik, M., & Zahn, D. (2017). Molecular Dynamics Simulation of Phosphonic Acid–Aluminum Oxide self-organization and their evolution into ordered monolayers. Physical chemistry chemical physics : PCCP, 19, 5137-5144. https://dx.doi.org/10.1039/C6CP08681K
Zahn, D. (2017). Multi-scale simulations of apatite--collagen composites: from molecules to materials. Frontiers of Materials Science, 11(1), 1-12. https://dx.doi.org/10.1007/s11706-017-0370-3

Last updated on 2016-05-05 at 05:33