Research output

  1. 2018
  2. Published

    An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides

    Friák, M., Kroupa, P., Holec, D. & Šob, M., 14 Dec 2018, In: Nanomaterials. 8.2018, 12, 14 p., 1049.

    Research output: Contribution to journalArticleResearchpeer-review

  3. Published

    Tuning structure and mechanical properties of Ta-C coatings by N-alloying and vacancy population

    Glechner, T., Mayrhofer, P. H., Holec, D., Fritze, S., Lewin, E., Paneta, V., Primetzhofer, D., Kolozsvári, S. & Riedl, H., 5 Dec 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, 11 p., 17669.

    Research output: Contribution to journalArticleResearchpeer-review

  4. Published

    Structural evolution of oxygen on the surface of TiAlN: Ab initio molecular dynamics simulations

    Guo, F., Wang, J., Du, Y., Holec, D., Ou, P., Zhou, H., Chen, L. & Kong, Y., 22 Nov 2018, In: Applied surface science. 470.2019, March, p. 520-525 6 p.

    Research output: Contribution to journalArticleResearchpeer-review

  5. Published

    An ab initio study of connections between tensorial elastic properties and chemical bonds in ∑5(210) grain boundaries in Ni3Si

    Friák, M., Zeleny, M., Všianská, M., Holec, D. & Šob, M., 13 Nov 2018, In: Materials letters. 11.2018, 11, 17 p., 2263.

    Research output: Contribution to journalArticleResearchpeer-review

  6. Published

    Self-structuring in Zr1−xAlxN films as a function of composition and growth temperature

    Ghafoor, N., Petrov, I., Holec, D., Greczynski, G., Palisaitis, J., Persson, P. O. Å., Hultman, L. & Birch, J., 5 Nov 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, 17 p., 16327.

    Research output: Contribution to journalArticleResearchpeer-review

  7. Published

    Kinetics of interaction of impurity interstitials with dislocations revisited

    Svoboda, J., Ecker, W., Razumovskiy, V. I., Zickler, G. A. & Fischer, F-D., Oct 2018, In: Progress in materials science. 101.2019, April, p. 172-206 35 p.

    Research output: Contribution to journalArticleResearchpeer-review

  8. E-pub ahead of print

    Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study

    Friák, M., Slávik, A., Miháliková, I., Holec, D., Všianská, M., Šob, M., Palm, M. & Neugebauer, J., 14 Sept 2018, (E-pub ahead of print) In: Materials. 11.2018, 9, 10 p., 1732.

    Research output: Contribution to journalArticleResearchpeer-review

  9. Published

    An ab initio study of thermodynamic and mechanical stability of heusler-based Fe2AlCo polymorphs

    Friák, M., Oweisová, S., Pavlu, J., Holec, D. & Šob, M., 27 Aug 2018, In: Materials. 11.2018, 9, 12 p., 1543.

    Research output: Contribution to journalArticleResearchpeer-review

  10. E-pub ahead of print

    Theory-guided metal-decoration of nanoporous carbon for hydrogen storage applications

    Holec, D., Kostoglou, N., Tampaxis, C., Babic, B., Mitterer, C. & Rebholz, C., 26 Jul 2018, (E-pub ahead of print) In: Surface & coatings technology. 351.2018, 15 October, p. 42-49 8 p.

    Research output: Contribution to journalArticleResearchpeer-review

  11. Published

    Ab initio inspired design of ternary boride thin films

    Moraes, V., Riedl, H., Fuger, C., Polcik, P., Bolvardi, H., Holec, D. & Mayrhofer, P. H., 18 Jun 2018, In: Scientific reports (London : Nature Publishing Group). 8.2018, p. 1-9 9 p., 9288.

    Research output: Contribution to journalArticleResearchpeer-review

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