Publications of D. Zahn

Duchstein, P.; Kniep, R.; Zahn, D.: On the Function of Saccharides during the Nucleation of Calcium Carbonate-Protein Biocomposites. Crystal Growth & Design 13 (11), pp. 4885 - 4889 (2013)

Thomas, A.; Rosseeva, E.; Hochrein, O.; Carrillo-Cabrera, W.; Simon, P.; Duchstein, P.; Zahn, D.; Kniep, R.: Mimicking the Growth of a Pathologic Biomineral: Shape Development and Structures of Calcium Oxalate Dihydrate in the Presence of Polyacrylic Acid. Chemistry - A European Journal 18 (13), pp. 4000 - 4009 (2012)

Borna, M.; Hunger, J.; Ormeci, A.; Zahn, D.; Burkhardt, U.; Carrillo-Cabrera, W.; Cardoso-Gil, R.; Kniep, R.: High-pressure high-temperature synthesis and crystal structure of the isotypic rare earth (RE)–thioborate–sulfides RE₉[BS₃]₂[BS₄]₃S₃, (RE=Dy–Lu). Journal of Solid State Chemistry 184 (2), pp. 296 - 303 (2011)

Duchstein, P.; Zahn, D.: Atomistic modeling of apatite-collagen composites from molecular dynamics simulations extended to hyperspace. Journal of Molecular Modeling 17 (1), pp. 73 - 79 (2011)

Borna, M.; Hunger, J.; Ormeci, A.; Zahn, D.; Kniep, R.: On the Crystal Structure of RE₃[BS₃]₂[BS₄]₃S₃ (RE = Dy –Lu). Zeitschrift für anorganische und allgemeine Chemie 636 (11), p. 2101 - 2101 (2010)

Brickmann, J.; Paparcone, R.; Kokolakis, S.; Zahn, D.; Duchstein, P.; Carrillo-Cabrera, W.; Simon, P.; Kniep, R.: Fluorapatite-Gelatine Nanocomposite Superstructures: New Insights into a Biomimetic System of High Complexity. ChemPhysChem 11 (9), pp. 1851 - 1853 (2010)

Kong, S.-T.; Deiseroth, H.-J.; Reiner, C.; Gün, Ö.; Neumann, E.; Ritter, C.; Zahn, D.: Lithium Argyrodites with Phosphorus and Arsenic: Order and Disorder of Lithium Atoms, Crystal Chemistry, and Phase Transitions. Chemistry - A European Journal 16, pp. 2198 - 2206 (2010)

Milek, T.; Duchstein, P.; Seifert, G.; Zahn, D.: Motif Reconstruction in Clusters and Layers: Benchmarks for the Kawska-Zahn Approach to Model Crystal Formation. ChemPhysChem 11, pp. 847 - 852 (2010)

Pecher, O.; Kong, S.-T.; Goebel, T.; Nickel, V.; Weichert, K.; Reiner, C.; Deiseroth, H.-J.; Maier, J.; Haarmann, F.; Zahn, D.: Atomistic Characterisation of Li⁺ Mobility and Conductivity in Li_7-xPS_6-xI_x Argyrodites from Molecular Dynamics Simulations, Solid State NMR, and Impedance Spectroscopy. Chemistry - A European Journal 16 (28), pp. 8347 - 8354 (2010)

Duchstein, P.; Hochrein, O.; Zahn, D.: Motif Identification in Materials Simulations. Zeitschrift für Anorganische und Allgemeine Chemie 635, pp. 649 - 652 (2009)

Frenzel, J.; Seifert, G.; Zahn, D.: Surface Effects in the Pressure-Induced Structural Transformation of a ZnO Nanorod. Zeitschrift für Anorganische und Allgemeine Chemie 635, pp. 1773 - 1776 (2009)

Hochrein, O.; Zahn, D.: Atomic mechanisms of superionic conductivity in fluorite. Solid State Ionics 180, pp. 116 - 119 (2009)

Zahn, D.: On the role of the solvent in biosystems: atomistic insights from computer simulations. Frontiers in Bioscience 14, pp. 3586 - 3593 (2009)

Zahn, D.: Molecular dynamics simulation of optimized shearing routes in single- and polycrystalline aluminium. Computational Materials Science 45, pp. 845 - 848 (2009)

Zahn, D.; Hochrein, O.; Guo, X.; Maier, J.: Molecular Dynamics Modeling of Nanoscale CaF₂/BaF₂ Heterolayer Structures. Journal of Physical Chemistry C 113, pp. 1315 - 1319 (2009)

Zahn, D.; Tlatlik, H.; Raabe, D.: Modeling of dislocation patterns of small- and high- angle grain boundaries in aluminium. Computational Materials Science 46, pp. 293 - 296 (2009)

Duchstein, P.; Hochrein, O.; Zahn, D.: Automated Motif Indentification in Solids. Zeitschrift für Anorganische und Allgemeine Chemie 634 (11), p. 2035 - 2035 (2008)

Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.: Atomistic Mechanisms of ZnO Aggregation from Ethanolic Solution: Ion Association, Proton Transfer, and Self Organization. Nano Letters 8 (8), pp. 2336 - 2340 (2008)

Kawska, A.; Duchstein, P.; Hochrein, O.; Zahn, D.: From Ion Aggregation to Nanocrystal (Self-)Organization: a Transferable Simulation Platform. Zeitschrift für Anorganische und Allgemeine Chemie 634 (11), p. 2017 - 2017 (2008)

Kawska, A.; Hochrein, O.; Brickmann, J.; Kniep, R.; Zahn, D.: The Nucleation Mechanism of Fluorapatite-Collagen Composites: Ion Association and Motif Control by Collagen Proteins. Angewandte Chemie 120, pp. 5060 - 5063 (2008)