Abstract
AbstractComputation of attachment energies, which are considered to be directly related to the growth rates of the corresponding F faces of the TiO2 crystal structure, have been calculated in an electrostatic point charge model. Corrections using van der Waals attractions and Born repulsions were used in normal calculations and then in calculations of attachment energies, crystal energies and surface energies using Buckingam potentials potentials and short range potentials according to Post. With this were constructed growth and equilibrium form of TiO2 crystals.
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