Publications

Publications

Journal Article (1)

  1. 1.
    Journal Article
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab Initio Determined Phase Diagram of Clean and Solvated Muscovite Mica Surfaces. Langmuir 32 (4), pp. 1027 - 1033 (2016)

Talk (7)

  1. 2.
    Talk
    Todorova, M.: Formation and dissolution of protective oxide layers in a wet electrochemical environment. MMM 2016 Conference, Dijon, France (2016)
  2. 3.
    Talk
    Todorova, M.: Insights into corrosion mechanisms from ab initio concepts. Corrosion - Aqueous (GRS), New London, NH, USA (2016)
  3. 4.
    Talk
    Todorova, M.: Elementary reaction steps in electrocatalysis: Theory meets experiment. Workshop 2016 der DFG-Forschergruppe 1376 , Reisensburg, Günzburg, Germany (2016)
  4. 5.
    Talk
    Todorova, M.: Oxide stability and defect chemistry in an electrochemical environment: an ab initio perspective. Workshop 2016 der DFG-Forschergruppe 1376 “Elementary reaction steps in electrocatalysis: Theory meets experiment“, Reisensburg, Günzburg, Germany (2016)
  5. 6.
    Talk
    Surendralal, S.; Todorova, M.; Neugebauer, J.: Automated calculations for charged point defects in MgO and α-Fe2O3. DPG-Frühjahrstagung 2016, Regensburg, Germany (2016)
  6. 7.
    Talk
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Ab initio Determination of Formation Energies and Charge Transfer Levels of Charged Ions in Water. APS 2016, Baltimore, MD, USA (2016)
  7. 8.
    Talk
    Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Ions in Water using ab-initio Molecular Dynamics. DPG Frühjahrstagung 2016, Regensburg, Germany (2016)

Thesis - Master (1)

  1. 9.
    Thesis - Master
    Surendralal, S.: Automated Calculations for Charged Point Defects in Magnesium Oxide and Iron Oxides. Master, Ruhr-Universität Bochum, GermanyRuhr-Universität Bochum, Bochum, Germany (2016)
 
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