Faculty - Alexandrov

Vitaly Alexandrov

Vitaly Alexandrov

Vitaly Alexandrov
Assistant Professor

Chemical and Biomolecular Engineering
207E Othmer Hall
Lincoln, Nebraska 68583-0643
Office: (402) 472-5323


  • Ph.D., Computational Chemistry, Max Planck Institute for Solid State Research/University of Stuttgart, 2009
  • M.S. (with distinction), Quantum Chemistry, St. Petersburg State University, 2006
  • Dipl. (with distinction), Electrochemistry, St. Petersburg State University, 2004

Research Interests

  • Computational chemistry and materials science
  • Electronic structure, electron/ion transport, surface chemistry

Honors and Awards

  • Doctoral Fellowship of Max Planck Society (International Max Planck Research School for Advanced Materials), 2006-2009
  • Fellowship to attend the 55th Meeting of Nobel Laureates in Lindau, Germany, 2005
  • Personal Grant of St. Petersburg Government for Young Scientists, 2004

Selected Publications

  • Alexandrov V. and Rosso K., "Ab Initio Modeling of Fe(II) Adsorption and Interfacial Electron Transfer at Goethite (a-FeOOH) Surfaces", Physical Chemistry Chemical Physics 17, 14518-14531 (2015)
  • Alexandrov V., Neumann A., Scherer M., and Rosso K., "Electron Exchange and Conduction in Nontronite from First-Principles", Journal of Physical Chemistry C 117(5), 2032-2040 (2013)
  • Alexandrov V., Shvareva T. Y., Hayun S., Asta M., and Navrotsky A., "Actinide Dioxides in Water: Interactions at the Interface", Journal of Physical Chemistry Letters 2, 3130-3134 (2011)
  • Alexandrov V., Grønbech-Jensen N., Navrotsky A., and Asta M., "First-Principles Computational Study of Defect Clustering in Solid Solutions of ThO2 with Trivalent Oxides", Physical Review B 82, 174115 (2010)
  • Alexandrov V., Maier J., and Evarestov R.A., "Ab Initio Study of SrFexTi1-xO3: Jahn-Teller Distortion and Electronic Structure", Physical Review B 77, 075111 (2008)
  • Evarestov R.A., Bandura A.V., and Alexandrov V., "Adsorption of Water on (001) Surface of SrTiO3 and SrZrO3 Cubic Perovskites: Hybrid HF-DFT LCAO Calculations", Surface Science 72, 1844 (2007)