TU-D-Blaha

Peter Blaha
TU Wien (Technische Universität Wien)
Institut für Materialchemie, E165

VSC project / type: 71212 / subproject of 71053 : TU-D Unraveling two-dimensional materials (Florian Libisch, TU Wien)

VSC-3 / status: 2018-10-02 - 2020-10-02 / active

Publications:

  • J. Zdenek, F. Kraushofer, M. Bichler, J. Balajka, J. Hulva, J. Pavelec, I. Sokolovic, M. Müllner, M. Setvin, M. Schmid, U. Diebold, P. Blaha, G. Parkinson:
    "Partially Dissociated Water Dimers at the Water?Hematite Interface"
    ACS Energy Letters, 4 (2019), 390 - 396.

  • F. Tran, P. Kovacs, L. Kalantari, G.K.H. Madsen, P. Blaha:
    Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids"
    Journal of Chemical Physics, 149 (2018), 144105.

  • L. Kalantari, P. Blaha, K. Khoo, R. Laskowski:
    Computational Study of Y NMR Shielding in Intermetallic Yttrium Compounds
    Journal of Physical Chemistry C, 121 (2017), 28454 - 28461.



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