Vörös, M.; Wippermann, S. M.; Gali, A.; Gygi, F.; Zimanyi, G. T.; Galli, G.: Exotic phase Si nanoparticles and Si–ZnS nanocomposites: New paradigms to improve the efficiency of MEG solar cells. In: 2014 IEEE 40th Photovoltaic Specialist Conference, PVSC 2014, 6925670, pp. 3432 - 3434. 40th IEEE Photovoltaic Specialist Conference, PVSC 2014, Denver, CO, USA, June 08, 2014 - June 13, 2014. (2014)
Wippermann, S. M.; Vörös, M.; Gali, A.; Galli, G.; Zimanyi, G. T.: Comparative study of Si and Ge nanoparticles with exotic core phases for solar energy conversion. In: 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC), 6744307, pp. 0989 - 0992 (Ed. Institute of Electrical and Electronics Engineers Inc.). 2013 IEEE 39th Photovoltaic Specialists Conference (PVSC), Tampa, FL, USA. IEEE (2013)
Schmidt, W. G.; Wippermann, S. M.; Rauls, E.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Landmann, M.; dos Santos, L. S.: Si(111)-In Nanowire Optical Response from Large-scale Ab Initio Calculations. In: High Performance Computing in Science and Engineering 2010, pp. 149 - 158. 14th Annual Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 04, 2010 - October 05, 2010. Springer-Verlag Berlin, Berlin, Germany (2011)
Schmidt, W. G.; Blankenburg, S.; Rauls, E.; Wippermann, S. M.; Gerstmann, U.; Sanna, S.; Thierfelder, C.; Koch, N.; Landmann, M.: Understanding Long-range Indirect Interactions Between Surface Adsorbed Molecules. In: High Performance Computing in Science and Engineering 2009, pp. 75 - 84. 12th Results and Review Workshop on High Performance Computing in
Science and Engineering, Stuttgart University , Stuttgart, Germany, October 08, 2009 - October 09, 2009. (2010)
Wippermann, S. M.; Schmidt, W. G.; Thissen, P.; Grundmeier, G.: Dissociative and molecular adsorption of water on alpha-Al2O3(0001). In: Physica Status Solidi C, Vol. 7, pp. 137 - 140. 12th International Conference on Formation of Semiconductor Interfaces, Weimar, Germany, July 05, 2009 - July 10, 2009. Wiley-VCH, Weinheim (2010)
Schmidt, W. G.; Blankenburg, S.; Wippermann, S. M.; Hermann, A. M.; Hahn, P.; Preuss, M.; Seino, K.; Bechstedt, F.: Anomalous water optical absorption: Large-scale first-principles simulations. In: High Performance Computing in Science and Engineering '06, pp. 49 - 58. 9th Results and Review Workshop on High Performance Computing in Science and Engineering, Stuttgart University, Stuttgart, Germany, October 19, 2006 - October 20, 2006. (2007)
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Atomic insights into fundamental processes at electrochemical solid/liquid interface by ab initio calculations. 38th Topical Meeting of the International Society of Electrochemistry: Nanomaterials in Electrochemistry, Manchester, UK (2024)
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Ab Initio Calculations for electrified solid/liquid interfaces – Challenges, insights and Opportunities. GRC Aqueous Corrosion: Corrosion Challenges and Opportunities for the Energy Transition, New London, NH, USA (2024)
Neugebauer, J.; Deißenbeck, F.; Wippermann, S. M.; Todorova, M.: Getting the Electrochemical Interface into an Ab Initio Supercell. CECAM workshop "Electrochemical Interfaces in Energy Storage: Advances in Simulations, Methods and Models", Lausanne, Switzerland (2024)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
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…
Developing and providing accurate simulation techniques to explore and predict structural properties and chemical reactions at electrified surfaces and interfaces is critical to surmount materials-related challenges in the context of sustainability, energy conversion and storage. The groups of C. Freysoldt, M. Todorova and S. Wippermann develop…