Max Planck Institute for Sustainable Materials

The "Electrochemistry and Corrosion" group

Publications of Uta Kühn

All genres

Journal Article (1)

Journal Article

Zhu, L.-F.; Friák, M.; Udyansky, A.; Ma, D.; Schlieter, A.; Kühn, U.; Eckert, J.; Neugebauer, J.: Ab initio based study of finite-temperature structural, elastic and thermodynamic properties of FeTi. Intermetallics 45, pp. 11 - 17 (2014)

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Group Leader

Dr. Mira Todorova

+49 (0)211 6792 675 todorova@...

Key Publications

Mira Todorova and Jörg Neugebauer, "Extending the concept of defect chemistry from semiconductor physics to electrochemistry," Physical Review Applied 1 (1), 014001 (2014).

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Sudarsan Surendralal, Mira Todorova, Michael W. Finnis, and Jörg Neugebauer, "First-Principles Approach to Model Electrochemical Reactions: Understanding the Fundamental Mechanisms behind Mg Corrosion," Physical Review Letters 120 (24), 246801 (2018).

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Florian Deißenbeck, Christoph Freysoldt, Mira Todorova, Jörg Neugebauer, and Stefan Martin Wippermann, "Dielectric Properties of Nanoconfined Water: A Canonical Thermopotentiostat Approach," Physical Review Letters 126 (13), 136803 (2021).

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publisher-version

Su-Hyun Yoo, Mira Todorova, Darshana Wickramaratne, Leigh Weston, Chris G. Van de Walle, and Jörg Neugebauer, "Finite-size correction for slab supercell calculations of materials with spontaneous polarization," npj Computational Materials 7 (1), 58 (2021).

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publisher-version

Mira Todorova and Jörg Neugebauer, "Identification of bulk oxide defects in an electrochemical environment," Faraday Discussions 180, 97-112 (2015).

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Markus Valtiner, Mira Todorova, Guido Grundmeier, and Jörg Neugebauer, "Temperature Stabilized reconstructions at polar ZnO(0001)," Physical Review Letters 103 (6), 065502 (2009).

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Markus Valtiner, Mira Todorova, and Jörg Neugebauer, "Hydrogen Adsorption on polar ZnO(0001)–Zn: Extending equilibrium surface phase diagrams to kinetically stabilized structures," Physical Review B 82 (16), 165418 (2010).

MPG.PuRe

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