All Stories

  1. Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15−nO30 nanoclusters

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Yohanna Seminovski

  2. Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zrn on the CeO2(111) surface

    Article • The Journal of Chemical Physics, December 2018, American Institute of Physics

    Juarez L. F. Da Silva, Yohanna Seminovski, Rafael Costa-Amaral

  3. Physical and Chemical Properties of Unsupported (MO2)n Clusters for M = Ti, Zr, or Ce and n = 1–15: A Density Functional Theory Study Combined with the Tree-Growth Scheme and Euclidean Similarity Distance Algorithm

    Article • The Journal of Physical Chemistry C, November 2018, American Chemical Society (ACS)

    Yohanna Seminovski

  4. From Bulk CeO2 to Transition-Metal Clusters Supported on the CeO2(111) Surface: A Critical Discussion

    Article • January 2018, Elsevier

    Yohanna Seminovski

  5. The role of the anionic and cationic pt sites in the adsorption site preference of water and ethanol on defected Pt4/Pt(111) substrates: A density functional theory investigation within the D3 van der waals corrections

    Article • Surface Science, January 2018, Elsevier

    Yohanna Seminovski

  6. The Role of Low-Coordinated Sites on the Adsorption of Glycerol on Defected Ptn/Pt(111) Substrates: A Density Functional Investigation within the D3 van der Waals Correction

    Article • The Journal of Physical Chemistry C, February 2017, American Chemical Society (ACS)

    Yohanna Seminovski

  7. Glycerol adsorption on a defected Pt6/Pt(100) substrate: a density functional theory investigation within the D3 van der Waals correction

    Article • RSC Advances, January 2017, Royal Society of Chemistry

    Yohanna Seminovski

  8. The role of the cationic Pt sites in the adsorption properties of water and ethanol on the Pt4/Pt(111) and Pt4/CeO2(111) substrates: A density functional theory investigation

    Article • The Journal of Chemical Physics, September 2016, American Institute of Physics

    Yohanna Seminovski

  9. The role of charge transfer in the oxidation state change of Ce atoms in the TM13–CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Juarez L. F. Da Silva, Yohanna Seminovski

  10. Analysis of SnS2hyperdoped with V proposed as efficient absorber material

    Article • Journal of Physics Condensed Matter, September 2014, Institute of Physics Publishing

    Yohanna Seminovski

  11. Obtaining an intermediate band photovoltaic material through the Bi insertion in CdTe

    Article • Solar Energy Materials and Solar Cells, July 2013, Elsevier

    Yohanna Seminovski

  12. Effect of van der Waals interaction on the properties of SnS2 layered semiconductor

    Article • Thin Solid Films, May 2013, Elsevier

    Yohanna Seminovski

  13. Band gap control via tuning of inversion degree in CdIn2S4 spinel

    Article • Applied Physics Letters, March 2012, American Institute of Physics

    Dr Ricardo Grau-Crespo, Yohanna Seminovski

  14. Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material

    Article • Computational and Theoretical Chemistry, November 2011, Elsevier

    Yohanna Seminovski

  15. Intermediate band position modulated by Zn addition in Ti doped CuGaS2

    Article • Thin Solid Films, August 2011, Elsevier

    Yohanna Seminovski

  16. V-doped SnS2: a new intermediate band material for a better use of the solar spectrum

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Dr Fernando Fresno, Yohanna Seminovski