Publications

Bauer, K.-D.; Todorova, M.; Hingerl, K.; Neugebauer, J.: A first principles investigation of zine induced embrittlement at grain boundaries in bcc iron. Acta Materialia 90, pp. 69 - 76 (2015)

Todorova, M.; Neugebauer, J.: Connecting semiconductor defect chemistry with electrochemistry: Impact of the electrolyte on the formation and concentration of point defects in ZnO. Surface Science 631, pp. 190 - 195 (2015)

Todorova, M.; Neugebauer, J.: Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions 180, pp. 97 - 112 (2015)

Todorova, M.: Electrochemistry from the perspective of semiconductor defect chemistry: New tools and insights. Psi-k Conference, San Sebastian, Spain (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Halide ions (Cl/Br/I) in water from ab-initio Molecular Dyna. Psi-k 2015 Conference, San Sebastián, Spain (2015)

Todorova, M.: Thermodynamic stability of bulk oxides and their defects in an electrochemical environment. 5th Sino-German Symposium, Changchun, China (2015)

Todorova, M.: Aqueous corrosion from the perspective of semiconductor defect chemistry: New Tools and Insights. CMRI Workshop, Sendai, Japan (2015)

Todorova, M.: From semiconductor defect chemistry to electrochemisty: New tools and insights. Workshop “Enabling methods for materials innovation: From quantum to mesoscale”, Gainesville, FL, USA (2015)

Todorova, M.: From semiconductor defect chemistry to electrochemistry: Defect stability phase diagrams. Workshop , Lake Arrowhead, CA, USA (2015)

Todorova, M.: Aqueious corrosion from the perspective of semiconductor defect chemistry: New tools and insights. CMRI Workshop on Computational Study of Corrosion, IMR, Tohoku University, Sendai, Japan (2015)

Todorova, M.: From Semiconductor Defect Chemistry to Electrochemistry: New Tools and Insights. EMMI Workshop, Gainesville, FL, USA (2015)

Todorova, M.: Identification of bulk oxide defects in an electrochemical environment. Faraday Discussions Corrosion Chemistry, London, UK (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation energy of ions in water: An ab-initio molecular dynamics study. DPG 2015, Berlin, Germany (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of Zn-ions in water: An ab initio molecular dynamics study. ICMR Workshop - Workshop on Charged Systems and Solid/Liquid Interfaces, University of California , Santa Barbara, USA (2015)