Theoretical insights into the hydrophobicity of low index CeO2 surfaces

  title={Theoretical insights into the hydrophobicity of low index CeO2 surfaces},
  author={Marco Fronzi and M. Assadi and D. Hanaor},
  journal={Applied Surface Science},
Abstract The hydrophobicity of CeO2 surfaces is examined here. Since wettability measurements are extremely sensitive to experimental conditions, we propose a general approach to obtain contact angles between water and ceria surfaces of specified orientations based on density functional calculations. In particular, we analysed the low index surfaces of this oxide to establish their interactions with water. According to our calculations, the CeO2 (111) surface was the most hydrophobic with a… Expand

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