Collaborations and top research areas from the last five years
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Atmospheric water and graphite lubrication: Insights into surface intercalation and nanoscale confined spaces
Sun, Y. W., Leiner, T., Gehringer, D., Humphreys, C. J., Dunstan, D. J. & Holec, D., 5 Mar 2026, In: Physical review materials . 2026, 10, 9 p., 034002.Research output: Contribution to journal › Article › Research › peer-review
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First-principles study of Ti-decorated graphene-based single-atom catalyst for MgH2 dehydrogenation
Han, B., Wang, J., Matas, M., Zhang, D., Jia, Y., Du, Y. & Holec, D., 6 Feb 2026, In: International Journal of Hydrogen Energy . 2026, Volume 207, 6 February, 10 p., 153379.Research output: Contribution to journal › Article › Research › peer-review
Open Access -
Ab initio modeling of TWIP and TRIP effects in β‑Ti alloys
Holec, D., Grillitsch, J., Neves, J. L., Obersteiner, D. & Klein, T., 4 Aug 2025, (E-pub ahead of print) In: Journal of materials research (JMR). 2025, Volume 40, Issue 16, p. 2376-2387 12 p.Research output: Contribution to journal › Article › Research › peer-review
Open Access -
Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: A case study of silicon nitride
Nayak, G. K., Srinivasan, P., Todt, J., Daniel, R., Nicolini, P. & Holec, D., 6 Jan 2025, In: Computational materials science. 249.2025, 5 February, 11 p., 113629.Research output: Contribution to journal › Article › Research › peer-review
Open Access -
Core–shell WS2@WTe2/MoTe2 nanotubes
Kundrat, V., Houben, L., Zalesak, J., Holec, D., Pinkas, I. & Tenne, R., 6 Aug 2025, In: Small Structure. 2025, Volume 6, Issue 10, 6 p., 2500258.Research output: Contribution to journal › Article › Research › peer-review
Open Access
Activities
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Pavel Ondračka
Holec, D. (Host)
23 Nov 2025 → 29 Nov 2025Activity: Hosting a visitor › Hosting an academic visitor
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Stanislava Bednarova
Holec, D. (Host)
23 Nov 2025 → 29 Nov 2025Activity: Hosting a visitor › Hosting an academic visitor
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Atomistic modelling of segregation in chemically and structurally complex systems
Holec, D. (Speaker)
13 Nov 2025Activity: Talk or presentation › Oral presentation
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Vacancy-concentration-dependent thermal stability of fcc-(Ti,Al)Nx predicted via chemical-environmentsensitive diffusion activation energies
Nayak, G. K. (contributor), Holec, D. (Speaker) & Schneider, J. M. (contributor)
27 Oct 2025Activity: Talk or presentation › Oral presentation
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Multi-method workflow for simulating tensorial properties of amorphous thin films: case studies of a-SiN and a-WBC thin films
Holec, D. (Speaker), Nayak, G. K. (contributor) & Ondračka, P. (contributor)
27 Oct 2025Activity: Talk or presentation › Invited talk