Publications

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Modelling Mica from first-principles. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Ilhan, M.; Todorova, M.; Neugebauer, J.: Adsorption of H, S, and O on the Iron (100) surface. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Izanlou, A.; Todorova, M.; Neugebauer, J.: Interactions of water and its derivatives with low index Fe₃Al surfaces. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Nykänen, L.; Todorova, M.; Neugebauer, J.: Ab initio modelling of platinum oxides. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Todorova, M.; Neugebauer, J.: The Nernst equation in the context of semiconductor defect chemistry. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Todorova, M.; Neugebauer, J.: Hydrogen adsorption on polar Zn(0001)–Zn surfaces - Extending equilibrium surface phase diagrams to kinetically stabilised structures. International Workshop on Materials Design Processes: Thermodynamics, Kinetics and Microstructure controll, Madrid, Spain (2013)

Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. DPG Frühjahrstagung, Regensburg, Germany (2013)

Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Fe₃Al surfaces in dry and humid oxygen atmosphere. DPG Frühjahrstagung, Regensburg, Germany (2013)

Todorova, M.; Neugebauer, J.: Aligning electronic energy levels in electrochemical systems. DPG Frühjahrstagung, Regensburg, Germany (2013)

Todorova, M.; Neugebauer, J.: Extending the Concept of Semiconductor Defect Chemistry to Electrochemistry. TMS Annual Meeting, San Antonio, TX, USA (2013)

Todorova, M.; Neugebauer, J.: Electrochemical Pourbaix phase diagrams from ab initio calculations. XLII CALPHAD Conference, San Sebastian, Spain (2013)

Cheng, S.-T.; Todorova, M.; Neugebauer, J.: Interactions of oxidizing species with the Mg(0001) surface: The role of electrostatic contributions. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)

Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Connecting electrochemical and water simulations: Status and future challenges, Ringberg, Germany (2013)

Todorova, M.; Neugebauer, J.: Extending the concept of semiconductor defect chemistry to electrochemistry. Workshop "Connecting electrochemical and water simulations: Status and future challenges", San Sebastian, Spain (2013)