Torres, E.; Blumenau, A. T.; Biedermann, P. U.: Mechanism for phase transitions and vacancy island formation in alkylthiol/Au(111)self-assembled monolayers based on adatom and vacancy-induced reconstructions. Physical Review B 79 (7), pp. 075440-1 - 075440-6 (2009)
Pengel, S.; Niu, F.; Nayak, S.; Tecklenburg, S.; Chen, Y.-H.; Ebbinghaus, P.; Schulz, R.; Yang, L.; Biedermann, P. U.; Gygi, F.et al.; Schmid, R.; Galli, G.; Wippermann, S. M.; Erbe, A.: Oxygen reduction and water at the semiconductor/solution interface probed by stationary and time-resolved ATR-IR spectroscopy coupled to electrochemical experiments and DFT calculations. In: Program of the 8th International Conference on Advanced Vibrational Spectroscopy (ICAVS) – Oral Abstracts, pp. 130 - 131 (Eds. Lendl, B.; Koch, C.; Kraft, M.; Ofner, J.; Ramer, G.). 8th International Conference on Advanced Vibrational Spectroscopy (ICAVS), Vienna, Austria, July 12, 2015 - July 17, 2015. (2015)
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)
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain, June 26, 2011 - July 01, 2011. (2011)
Kenmoe, S.; Biedermann, P. U.: Water adsorption on non polar ZnO surfaces: from single molecules to multilayers. In APS March Meeting 2015, abstract #G8.011. APS March Meeting 2015 , San Antonio, TX, USA, March 02, 2015 - March 06, 2015. (2015)
Kenmoe, S.; Biedermann, P. U.: Water adsorption on non polar ZnO surfaces: from single molecules to multilayers. In DPG Spring Meeting 2015, Abstract: O14.12. DPG Spring Meeting 2015 , Berlin, Germany, March 16, 2015 - March 20, 2015. (2015)
Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, March 03, 2014 - March 07, 2014. (2014)
Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, March 30, 2014 - April 04, 2015. (2014)
Biedermann, P. U.; Nayak, S.; Erbe, A.: The Mechanism of Electrochemical Oxygen Reduction: A Combined DFT and in-Situ ATR-IR Study on Model Semiconductor Surfaces Ge(100) and ZnO. 227th ECS Meeting, Chicago, IL, USA (2015)
Biedermann, P. U.; Nayak, S.; Erbe, A.: Catching intermediates of the oxygen reduction reaction in situ: Insights from electrochemical ATIR-IR and DFT. 112th Bunsentagung (Annual German Conference on Physical Chemistry), Karlsruhe Institute of Technology (KIT), Karlsruhe, Germany (2013)
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)
Nayak, S.; Biedermann, P. U.; Stratmann, M.; Erbe, A.: In situ Electrochemical ATR-IR Investigation of the Oxygen Reduction on Germanium. 62nd Annual Meeting of the International Society of Electrochemistry, Niigata, Japan (2011)
Berezkin, A. V.; Biedermann, P. U.; Auer, A. A.: Mesoscale simulation of network formation and structure, combining molecular dynamics and kinetic Monte Carlo approaches. European Polymer Congress 2011, Granada, Spain (2011)
Berezkin, A. V.; Biedermann, P. U.: Simulation of polyurethane and water interac-tions with the ZnO surface: DFT and classical OPLS-AA force field calculation. 4-th World Congress on Adhesion and Related Phenomena, Arcachon, France 2010 (2010)
Biedermann, P. U.: Ab initio approaches to Solvation Free Energies and Single-Ion Chemical Potentials. Minisymposium "Challenges for Theory in Electrochemistry", MPI für Eisenforschung GmbH, Düsseldorf, Germany (2010)
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
Understanding hydrogen-assisted embrittlement of advanced structural materials is essential for enabling future hydrogen-based energy industries. A crucially important phenomenon in this context is the delayed fracture in high-strength structural materials. Factors affecting the hydrogen embrittlement are the hydrogen content,...
Thermo-chemo-mechanical interactions due to thermally activated and/or mechanically induced processes govern the constitutive behaviour of metallic alloys during production and in service. Understanding these mechanisms and their influence on the material behaviour is of very high relevance for designing new alloys and corresponding…
Nickel-based alloys are a particularly interesting class of materials due to their specific properties such as high-temperature strength, low-temperature ductility and toughness, oxidation resistance, hot-corrosion resistance, and weldability, becoming potential candidates for high-performance components that require corrosion resistance and good…
Hydrogen embrittlement of austenitic steels is of high interest because of the potential use of these materials in hydrogen-energy related infrastructures. In order to elucidate the associated hydrogen embrittlement mechanisms, the mapping of heterogeneities in strain, damage (crack/void), and hydrogen and their relation to the underlying microstructures is a key assignment in this field.
Understanding hydrogen-assisted embrittlement of advanced high-strength steels is decisive for their application in automotive industry. Ab initio simulations have been employed in studying the hydrogen trapping of Cr/Mn containing iron carbides and the implication for hydrogen embrittlement.
Within this project, we will investigate the micromechanical properties of STO materials with low and higher content of dislocations at a wide range of strain rates (0.001/s-1000/s). Oxide ceramics have increasing importance as superconductors and their dislocation-based electrical functionalities that will affect these electrical properties. Hence…
We apply our novel potentiostat approach to study the chemical reactions that take place during initial corrosion at the water-Mg interface under anodic polarization. Based on the gained insight, we derive an atomistic model that explains the origin of the anodic hydrogen evolution.