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)
Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into Electrified Solid/Liquid Interfaces from Ab initio and Atomistic Molecular Dynamics Simulations. CECAM - Young Researchers' School on Theory and Simulation in Electrochemical Conversion Processes, Paris, France (2023)
In this project, links are being established between local chemical variation and the mechanical response of laser-processed metallic alloys and advanced materials.
The group aims at unraveling the inner workings of ion batteries, with a focus on probing the microstructural and interfacial character of electrodes and electrolytes that control ionic transport and insertion into the electrode.