Periodic DFT Study of the Tetragonal ZrO2 Nanocrystals: Equilibrium Morphology Modeling and Atomistic Surface Hydration Thermodynamics

Witold Piskorz, Joanna Gryboś, Filip Zasada, Piotr Zapała, Sylvain Cristol, Jean-François Paul and Zbigniew Sojka

The Journal of Physical Chemistry C

DOI: 10.1021/jp3050059

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