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. 2018 Jun 28;10(35):29943–29953. doi: 10.1021/acsami.8b08172

Figure 5.

Figure 5

Total (DOS) and projected density of states on different oxygen species (a) of the NS in a vacuum, (b) of the NS with a monolayer of molecular water (α = 0.00) and (c) and (d) with a monolayer in which a portion of water is dissociated (α = 0.21, α = 0.30, respectively). In each panel, the band gap and the energy shift of the valence and conduction band edges with respect to the NS model in a vacuum are given in eV. A 0.005 eV Gaussian broadening was used. The zero energy is set to the vacuum level.