THERMOCHEMISTRY ON A FLUORINATED DIAMOND(111) SURFACE

We have performed calculations to evaluate mechanisms for growth of diamond on fluorinated diamond surfaces. These surfaces are very hard and have excellent tribological properties. Our calculations show that steric repulsion between neighboring F atoms on the fully fluorinated surface studied is small, which-given the strength of C-F bonds-implies that this surface should be chemically very stable. Our analysis also shows that in the absence of hydrogen, growth of diamond on a fluorinated surface is thermodynamically so unfavorable that it will not occur. Finally, diamond growth on fluorinated surfaces could be quite favorable in the presence of hydrogen and hydrocarbons.