Max Planck Institute for Sustainable Materials

Publications of Thomas R. Bieler

All genres

Other (2)

21.

Other

Mercier, D.; Zambaldi, C.; Bieler, T. R.: STABiX documentation, (2015)

MPG.PuRe

22.

Other

Mercier, D.; Zambaldi, C.; Bieler, T. R.: STABiX, (2015)

MPG.PuRe

DOI

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).

MPG.PuRe

DOI

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).

MPG.PuRe

DOI

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).

MPG.PuRe

DOI

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).

MPG.PuRe

DOI

publisher-version

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

MPG.PuRe

DOI

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

MPG.PuRe

DOI

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

DOI