Zahn, Dirk - Friedrich-Alexander-Universität Erlangen-Nürnberg

研究领域

Theoretische Chemie, Atomistische Simulation mit Schwerpunkt Keimbildungsprozesse und Materialchemie

近期论文

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D. Zahn "Nucleation mechanism and kinetics of the perovskite to post-perovskite transition of MgSiO3 under extreme conditions" Chem. Phys. Lett., 573 (2013) 5-7. D. Zahn "Molecular Simulation of Fundamental Processes in Nanoparticle-Polymer- Nanoparticle Systems under Tensile Load" Int. J. Mater. Mech. Man. 1 (2013) 306-308. 100.D. Zahn, J. Anwar "Collective Displacements in a Molecular Crystal Polymorphic Transformation" RSC Advances, 3 (2013) 12810-12815. P.Duchstein, R. Kniep, D. Zahn "On the function of saccharides during the nucleation of calcium carbonate – protein bio-composites" Cryst. Growth Design, 13 (2013) 4885-4889. T. Milek, B. Meyer, D.Zahn "A first-principles based force-field for Li+ and OH- in ethanolic solution" J.Chem.Phys., 139 (2013) 144506. T. Milek, T. Doepper, C. Neiss, A. Goerling, D.Zahn "Charge distribution analysis in Ag(n)m+ clusters: molecular modeling and DFT calculations" J.Mol.Model., 20 (2014) 2111. M. Helminger, B.H. Wu, T. Kollmann, D. Benke, D. Schwahn, V. Pipich, D. Faivre, D. Zahn, H. Coelfen "Synthesis and Characterization of gelatin based magnetic hydrogels" Adv.Funct.Mater., 24 (2014) 3187-3196. H.H. Damkier, K. Josephsen, Y. Takano, D. Zahn, O. Fejerskov, S. Frische "Fluctuations in pH of maturing surface enamel area result of cycles of H+ -secretion by ameloblasts and variations in enamel buffer characteristics" Bone, 60 (2014) 227-234. M.Somer, H.G.v.Schnering, O. Hochrein, D. Zahn "A profound analysis of Rb2[PH] and Cs2[PH] and the role of [PH]2- ions during temperature-induced solid-solid phase transitions" Solid State Communications,188 (2014) 32-35. D.Zahn, E. Bitzek "Shearing in a biomimetic apatite-protein composite: molecular dynamics of slip zone formation, plastic flow and backcreep mechanisms" PLOS one, 9 (2014) e93309. P.Ectors, P.Duchstein, D.Zahn "Nucleation mechanisms of a polymorphic molecular crystal: solvent-dependent structural evolution of benzamide aggregates" Cryst. Growth Design, 14 (2014) 2972–2976. C.Meltzer, J.Paul, H.Dietrich, C.Jaeger, T.Clark, D.Zahn, J.Braunschweig, W.Peukert "Indentation and Self-Healing Mechanisms of a Self-Assembled Monolayer - A Combined Experimental and Modeling Study" J. Am. Chem. Soc., 136 (2014), 10718–10727. T.Shubina, D.Sharapa, C.Schubert, D.Zahn, M.Halik, P.Keller, S.Pyne, S.Jennepalli, D.M.Guldi, T.Clark, "Fullerene van der Waals Oligomers as Electron Traps" J. Am. Chem. Soc., 136 (2014), 10890–10893. T.Milek, D.Zahn, "Molecular Simulation of Ag Nanoparticle Nucleation from Solution: Redox-Reactions Direct the Evolution of Shape and Structure" Nanoletters, 14 (2014) 4913-4917. M. Walther, D.Zahn, "Molecular Mechanisms of [Bi6O4(OH)4](NO3)6 precursor activation, agglomeration and ripening towards Bismuth Oxide nuclei" Eur.J.Inorg.Chem., 7 (2015) 1178-1181. P.Ectors, P.Duchstein, D.Zahn, "From oligomers towards a racemic crystal: molecular simulation of DL-norleucine crystal nucleation from solution" Cryst.Eng.Comm., in press. M.Helminger, B. Wu, T.Kollmann, M.Neubauer, G.Nagy, D.Schwahn, V.Pipich, D.Faivre, D.Zahn, A.Fery, H. Cölfen "Multifunctional layered magnetic composites" Beilstein J. Nanotech. 6 (2015) 134-148. T.Milek, P. Duchstein, D.Zahn "Molecular modeling of (1 0 -1 0) and (0 0 0 -1) zinc oxide surface growth from solution: islands, ridges and growth-controlling additives" Cryst.Eng.Comm., in press. P. Duchstein, T.Milek, D.Zahn "Molecular mechanisms of ZnO nanoparticle dispersion in solution: modeling of surfactant association, electrostatic shielding and counter ion dynamics" PLOS one, in press. C. Meltzer, H. Dietrich, D. Zahn, W. Peukert, B. Braunschweig "Self-Assembled Monolayers Get Their Final Finish via a Quasi-Langmuir-Blodgett Transfer" Langmuir, in press. D. Zahn "Thermodynamics and kinetics of pre-nucleation clusters, classical and non-classical nucleation" Chem.Phys.Chem., in press.