Fig. 4
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Binding energy per TiO2 monomer unit for small (N = 3–7, left) and large (N = 8–15, right) clusters for the best 90% of clusters after optimisation with the DFTB approach. Individual clusters are colour-coded according to the method of creating the candidate cluster (Sect. 2.1). A random spread along the x-axis has been added to enable comparison between clusters at similar energies.
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