Stability, equilibrium morphology and hydration of ZrC(111) and (110) surfaces with H2O: a combined periodic DFT and atomistic thermodynamic study

Phys. Chem. Chem. Phys., 2015, 17,21401-21413
DOI: 10.1039/C5CP03031E, Paper

Eric Osei-Agyemang, Jean-Francois Paul, Romain Lucas, Sylvie Foucaud, Sylvain Cristol
ZrC is a non-oxide ultra-high temperature ceramic (UHTC) material with excellent physical and mechanical properties used in nuclear plants and jet propulsion engines.
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