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Poster (948)

10381.
Poster
Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduction Reaction on Pt-Nanoparticles: A Density-Functional Based Study. 46th Symposium on Theoretical Chemistry, STC2010, Münster, Germany (2010)
10382.
Poster
Benedikt, U.; Schneider, W.; Auer, A. A.: Oxygen Reduktion Reaction On Pt-Nanoparticles: A Density-Functional Based Study II. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Ruhr-Universität Bochum, Bochum, Germany (2010)
10383.
Poster
Biedermann, P. U.; Flechtner, K.-D.: Towards a Thermodynamic Theory of Electrochemical Reactions in Aqueous Media. A DFT Study of the Intermediates of Oxygen Reduction. 46th Symposium on Theoretical Chemistry, STC2010, Münster, Germany (2010)
10384.
Poster
Biedermann, P. U.; Flechtner, K.-D.: Theoretical Insights into the Mechanism of the Oxygen Reduction Reaction. Electrochemistry 2010, Ruhr-Universität Bochum, Bochum, Germany (2010)
10385.
Poster
Elstnerova, P.; Friák, M.; Hickel, T.; Fabritius, H.; Raabe, D.; Ziegler, A.; Hild, S.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions: An ab initio study. Psi-k Conference 2010, Berlin, Germany (2010)
10386.
Poster
Fabritius, H.-O.; Karsten, E. S.; Balasundaram, K.; Hild, S.; Huemer, K.; Raabe, D.: Influence of Structural Organization and Mineral Distribution on the Local Mechanical Properties of Mineralized Cuticle. Workshop Prospects in BIONICS, Leoben, Austria (2010)
10387.
Poster
Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Elstnerová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Zigler, A.; Neugebauer, J.: Ab initio based study of multi-scale elastic properties of hierarchical biocomposites. Psi_k Conference 2010, Berlin, Germany (2010)
10388.
Poster
Hickel, T.; Körmann, F.; Dick, A.; Neugebauer, J.: Fully ab initio based determination of magnetic contributions to the free energy of metals. Psi-k Conference 2010, Berlin, Germany (2010)
10389.
Poster
Kalesaki, E.; Lymperakis, L.; Kioseoglou, J.; Komninou, P.; Karakostas, T.: Surface Thermodynamics of (11-22) and (11-2-2) Semipolar AlN Surfaces. International Workshop on Nitride Semiconductors, Tampa, FL, USA (2010)
10390.
Poster
Katsounaros, I.; Topalov, A. A.; Mayrhofer, K. J. J.: Electrochemical reduction of CO2 to fuels: Directions and perspectives. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Bochum, Germany (2010)
10391.
Poster
Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing optimized atomic basis-sets with PW accuracy. Psi-k Conference 2010, Berlin, Germany (2010)
10392.
Poster
Meier, J. C.; Hartl, K.; Nesselberger, M.; Arenz, M.; Mayrhofer, K. J. J.: The Particle Size Effect in Electrocatalysis of Fuel Cell Reactions. Electrochemistry 2010, Bochum, Germany (2010)
10393.
Poster
Nayak, S.; Biedermann, P. U.; Erbe, A.: Spectroscopic Investigation of the Oxygen Reduction Reaction (ORR) on Semiconductor Surfaces. Electrochemistry 2010 - From microscopic understanding to global impact, Bochum, Germany (2010)
10394.
Poster
Nazarov, R.; Hickel, T.; Neugebauer, J.: Superabundant vacancies in fcc Fe: A combination of ab-initio, thermodynamic and kinetic approaches. Psi-k Conference 2010, Berlin, Germany (2010)
10395.
Poster
Pfanner, G.; Freysoldt, C.; Neugebauer, J.: EPR hyperfine tensors of the dangling bond defect in crystalline and amorphous silicon. Psi-k Conference 2010, Berlin, Germany (2010)
10396.
Poster
Schneider, W.; Auer, A. A.; Mehring, M.: Interactions of Main Group Elements and Aromatic Systems - A Theoretical Study. STC 2010 - Quantum Chemistry for Large and Complex Systems: From Theory to Algorithms and Applications, Münster, Germany (2010)
10397.
Poster
Schneider, W.; Benedikt, U.; Auer, A. A.: Oxygen Reduktion Reaction on Pt-Nanoparticles: A Density-Functional Based Study I. Electrochemistry 2010: From Microscopic Understanding to Global Impact, Ruhr-Universität Bochum, Bochum, Germany (2010)
10398.
Poster
Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Order/disorder transition of defects in ferrite: Ab initio based multi-scale approach. Psi-k 2010 Conference, Ab initio calculations of processes in materials and (bio)molecules, Berlin, Germany (2010)
10399.
Poster
Vimalanandan, A.; Khan, T. R.; Rohwerder, M.: Incoporation of functionalized Silica Nanoparticles into metallic matrices. CUSO – Summer School: Nanoelectrochemistry, Villars, Switzerland (2010)
10400.
Poster
Vogel, D.; Palm, M.; Renner, F. U.: Steam Corrosion Studies of Fe–Al Based Alloys. EUROCORR 2010, Moskau, Russland (2010)
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