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  1. 2012

  2. Comment on “Structure and dynamics of liquid water on rutile TiO2 (110)”

    Wesolowski, D. J., Sofo, J. O., Bandura, A. V., Zhang, Z., Mamontov, E., Predota, M., Kumar, N., Kubicki, J., Kent, P. R. C., Vlcek, L., Machesky, M. L., Fenter, P., Cummings, P. T., Anovitz, L. M., Skelton, A. A. & Rosenqvist, J., 2012, In: Physical Review B - Condensed Matter and Materials Physics. 85, p. 167401

    Research output: Contribution to journal › Article

  3. First-Principles Calculations on the Four Phases of BaTiO3

    Evarestov, R. A. & Bandura, A. V., 2012, In: Journal of Computational Chemistry. 33, p. 1123–1130

    Research output: Contribution to journal › Article

  4. First-Principles Calculations on Thermodynamic Properties of BaTiO3 Rhombohedral Phase

    Bandura, A. V. & Evarestov, R. A., 2012, In: Journal of Computational Chemistry. 33, p. 1554–1563

    Research output: Contribution to journal › Article

  5. Symmetry and non-empirical calculations of structure and properties of single- and double-wall SrTiO3 nanotubes

    Evarestov, R. A. & Bandura, A. V., 2012, Nanodevices and Nanomaterials for Ecological Security, NATO Science for Peace and Security; Series B: Physics and Biophysics. Springer Nature, p. 75-85

    Research output: Chapter in Book/Report/Conference proceeding › Article in an anthology › Research

  6. 2011

  7. First-principles calculations on double-walled inorganic nanotubes with hexagonal chiralities

    Zhukovskii, Y. F., Evarestov, R. A., Bandura, A. V. & Losev, M. V., 29 Aug 2011, In: IOP Conference Series: Materials Science and Engineering. 23, 1, 012014.

    Research output: Contribution to journal › Conference article › peer-review

  8. Adsorption of Zn2+ on the (110) surface of TiO2 (rutile): A density functional molecular dynamics study

    Bandura, A. V., Sofo, J. O. & Kubicki, J., 2011, In: Journal of Physical Chemistry C. 115, 19, p. 9608–9614

    Research output: Contribution to journal › Article › peer-review

  9. Comparison of Cation Adsorption by Isostructural Rutile and Cassiterite.

    Machesky, M., Wesolowski, D., Rosenqvist, J., P edota, M., Vlcek, L., Ridley, M., Kohli, V., Zhang, Z., Fenter, P., Cummings, P., Lvov, S., Fedkin, M., Rodriguez-Santiago, V., Kubicki, J. & Bandura, A., 2011, In: Langmuir. 27, 8, p. 4585-4593

    Research output: Contribution to journal › Article

  10. Faster Proton Transfer Dynamics of Water on SnO2 Compared to TiO2

    Kumar, N., Kent, P. R. C., Bandura, A. V., Kubicki, J., Wesolowski, D. J., Cole, D. R. & Sofo, J. O., 2011, In: Journal of Chemical Physics. 134, 4, p. 044706

    Research output: Contribution to journal › Article

  11. LCAO calculation of water adsorption on (001) surface of Y-doped BaZrO(3)

    Evarestov, R. A. & Bandura, A. V., 2011, In: Solid State Ionics. 188, 1, p. 25-30

    Research output: Contribution to journal › Article

  12. LCAO Calculations of (001) Surface Oxygen Vacancy Structure in Y-Doped BaZrO3

    Bandura, A. V., Evarestov, R. A. & Kuruch, D. D., 2011, In: Integrated Ferroelectrics. 123, 1, p. 1-9

    Research output: Contribution to journal › Article

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