Todorova, M.; Neugebauer, J.: Extending the Concept of Semiconductor Defect Chemistry to Electrochemistry. TMS Annual Meeting, San Antonio, TX, USA (2013)
Todorova, M.: Extending thermodynamic concepts combined with first-principles calculations to address questions related to aqueous corrosion: Potential and challenges. Seminar talk at Universität Ulm, Lehrstuhl für Theoretische Chemie, Ulm, Germany (2012)
Bauer, K. D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: Ab-initio Study on Liquid Metal Embrittlement in the Fe/Zn System. DPG Frühjahrstagung 2012, Bochum, Germany (2012)
Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of 2nd row high electron affinity elements with Mg(0001). DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. DPG Frühjahrstagung 2012, Berlin, Germany (2012)
Todorova, M.: Extending the concept of semiconductor defect chemistry to electro-chemistry: Potential and challenges. Seminar talk at Lehrstuhl für Theoretische Chemie, Universität Duisburg-Essen, Essen, Germany (2012)
Todorova, M.: Combining ab initio calculations with thermodynamic concepts to address questions related to aqueous corrosion. Seminar talk at Lehrstuhr für Theoretische Chemie, TU München, München, Germany (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Ab initio study of stability of Fe3Al surfaces in contact with an oxygen atmosphere. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)
Izanlou, A.; Todorova, M.; Friák, M.; Palm, M.; Neugebauer, J.: Theoretical study of the environmental effect of H-containing gases on Fe–Al surfaces. FeAl2011, Discussion Meeting on the Development of Innovative Iron Aluminium Alloys, Lanzarote, Canary Islands, Spain (2011)
Todorova, M.: Extending the concept of semiconductor defect chemistry to electro-chemistry: Constructing electro-chemical E/pH diagrams based on ab-initio calculations. Workshop ''Modern developments in the ab initio description of charged systems for semiconductors and electrochemistry", Ringberg, Germany (2011)
Todorova, M.: Stabilisation of polar ZnO(0001) surfaces in dry and humid environment. Fritz-Haber-Institut der MPG, Theorie-Seminar, Berlin, Germany (2011)
Todorova, M.: Stability of polar ZnO(0001) surfaces in dry and humid atmosphere. TYC Workshop ''Thermodynamics and kinetics of dopants, defects and adatoms at surfaces'' at University College London, London, UK (2011)
Todorova, M.; Valtiner, M.; Neugebauer, J.: Hydrogen adsorption on polar ZnO(0001)–Zn - Extending equilibrium surface phase diagrams to kinetically stabilised structures. March meeting of the American Physical Society (APS), Dallas, TX, USA (2011)
Todorova, M.; Neugebauer, J.: On the accuracy of ion hydration energies - An ab initio study. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2011)
Todorova, M.: Corrosion from first principles: A new approach to construct electrochemical E-pH diagrams. Kristallographisches Kolloquium at Fakultät Geowissenschaften, LMU München, München, Germany (2010)
Todorova, M.: Towards Corrosion Control from First Principles - A New Approach to Construct ab initio Electrochemical E-pH Diagrams. Gordon Research Conference ''Corrosion - Aqueous'', Colby-Sawyer College, New London, NH, USA (2010)
This project targets to exploit or develop new methodologies to not only visualize the 3D morphology but also measure chemical distribution of as-synthesized nanostructures using atom probe tomography.
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In order to develop more efficient catalysts for energy conversion, the relationship between the surface composition of MXene-based electrode materials and its behavior has to be understood in operando. Our group will demonstrate how APT combined with scanning photoemission electron microscopy can advance the understanding of complex relationships…
To advance the understanding of how degradation proceeds, we use the latest developments in cryo-atom probe tomography, supported by transmission-electron microscopy. The results showcase how advances in microscopy & microanalysis help bring novel insights into the ever-evolving microstructures of active materials to support the design of better…
The worldwide developments of electric vehicles, as well as large-scale or grid-scale energy storage to compensate the intermittent nature of renewable energy generation has generated a surge of interest in battery technology. Understanding the factors controlling battery capacity and, critically, their degradation mechanisms to ensure long-term…