Publications

Kettner, M.; Benedikt, U.; Schneider, W.; Auer, A. A.: Computational Study of Pt/Co Core-Shell Nanoparticles: Segregation, Adsorbates and Catalyst Activity. Journal of Physical Chemistry C 116 (29), pp. 15432 - 15438 (2012)

Azzam, W.; Bashir, A.; Biedermann, P. U.; Rohwerder, M.: Formation of highly ordered and orientated gold islands: Effect of immersion time on the molecular adlayer structure of pentafluorobenzenethiols (PFBT) SAMs on Au(111). Langmuir 28 (27), pp. 10192 - 10208 (2012)

Auer, A. A.; Richter, A.; Berezkin, A. V.; Guseva, D. V.; Spange, S.: Theoretical study of twin polymerization – From chemical reactivity to structure formation. Macromolecular Theory Simulations 21 (9), pp. 615 - 628 (2012)

Banert, K.; Arnold, R.; Hagedorn, M.; Thoss, P.; Auer, A. A.: 1-Azido-1-Alkynes: Synthesis and Spectroscopic Characterization of Azidoacetylene. Angew. Chem. 124, pp. 1 - 5 (2012)

Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Hydrogen peroxide electrochemistry on platinum: Towards understanding the oxygen reduction reaction mechanism. Physical Chemistry and Chemical Physics 14, pp. 7384 - 7391 (2012)

Berezkin, A. V.; Biedermann, P. U.: Multiscale simulation of polyurethane network. World Polymer Congress 2012, Blacksburg, Virginia Tech, USA, June 24, 2012 - June 29, 2012. (2012)

Biedermann, P. U.; Nayak, S.; Erbe, A.: Towards Understanding the Mechanism of the Electrochemical Oxygen Reduction: DFT Modeling and Spectroelectrochemical Validation. Pacific Rim Meeting on Electrochemical and Solid-State Science PRIME 2012 / ECS 222, Honolulu, HI, USA (2012)

Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Electrochemistry of H₂O₂ on platinum: Towards understadning ORR. Electrochemistry 2012 - Fundamental and Engineering Needs for Sustainable Development (GDCh Meeting), München, Germany (2012)

Berezkin, A. V.; Biedermann, P. U.: Multiscale simulation of polyurethane network. World Polymer Congress 2012, Blacksburg, Virginia Tech, USA (2012)

Berezkin, A. V.; Biedermann, P. U.: Multiscale simulation of PU coatings. BASF-Seminar, Ludwigshafen, Germany (2012)

Katsounaros, I.; Schneider, W.; Meier, J. C.; Benedikt, U.; Biedermann, P. U.; Auer, A. A.; Mayrhofer, K. J. J.: Hydrogen peroxide electrochemistry on platinum: Towards understanding the oxygen reduction reaction mechanism. 63rd Annual Meeting of the International Society of Electrochemistry, Prague, Czech Republic (2012)

Wippermann, S. M.; Vörös, M.; Rocca, D.; Li, T.; Gali, A.; Zimanyi, G. T.; Galli, G.: Semiconducting Nano-Composites for Solar Energy Conversion: Insights from ab initio calculations. I-CAMP 12, Boulder, CO, USA (2012)